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1146629-77-7 | Propanoic acid, 2,2-dimethyl-, [4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester
CAS No: 1146629-77-7 Catalog No: AG000EZ5 MDL No:
Product Description
Catalog Number:
AG000EZ5
Chemical Name:
Propanoic acid, 2,2-dimethyl-, [4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester
CAS Number:
1146629-77-7
Molecular Formula:
C15H17N5O2
Molecular Weight:
299.3278
IUPAC Name:
[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C15H17N5O2/c1-15(2,3)14(21)22-9-20-5-4-11-12(10-6-18-19-7-10)16-8-17-13(11)20/h4-8H,9H2,1-3H3,(H,18,19)
InChI Key:
CPGIWDOJHYCMRW-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OCn1ccc2c1ncnc2c1c[nH]nc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.334g/mol
Monoisotopic Mass:
299.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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