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1476776-97-2 | 2H-Indazole-7-carboxamide, N-(1,1-dimethylethyl)-2-[4-(3S)-3-piperidinylphenyl]-
CAS No: 1476776-97-2 Catalog No: AG001F29 MDL No:
Product Description
Catalog Number:
AG001F29
Chemical Name:
2H-Indazole-7-carboxamide, N-(1,1-dimethylethyl)-2-[4-(3S)-3-piperidinylphenyl]-
CAS Number:
1476776-97-2
Molecular Formula:
C23H28N4O
Molecular Weight:
376.4946
IUPAC Name:
N-tert-butyl-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
InChI:
InChI=1S/C23H28N4O/c1-23(2,3)25-22(28)20-8-4-6-18-15-27(26-21(18)20)19-11-9-16(10-12-19)17-7-5-13-24-14-17/h4,6,8-12,15,17,24H,5,7,13-14H2,1-3H3,(H,25,28)/t17-/m1/s1
InChI Key:
ZWVFDEIRRAWULJ-QGZVFWFLSA-N
SMILES:
O=C(c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1)NC(C)(C)C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
376.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.504g/mol
Monoisotopic Mass:
376.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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