3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H20N6O — CID 19588547

IUPAC3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnn(C)c2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C20H20N6O/c1-13-9-17(20(27)21-10-15-11-22-25(3)12-15)18-14(2)24-26(19(18)23-13)16-7-5-4-6-8-16/h4-9,11-12H,10H2,1-3H3,(H,21,27)
InChIKeyNVKHDSMGTGQCPD-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.70
Rot. Bonds4

About 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 19588547) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID19588547
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnn(C)c2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C20H20N6O/c1-13-9-17(20(27)21-10-15-11-22-25(3)12-15)18-14(2)24-26(19(18)23-13)16-7-5-4-6-8-16/h4-9,11-12H,10H2,1-3H3,(H,21,27)
InChIKeyNVKHDSMGTGQCPD-UHFFFAOYSA-N
XLogP2.70
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927951
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 71834158
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 19588547) is 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cnn(C)c2)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NVKHDSMGTGQCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-9-17(20(27)21-10-15-11-22-25(3)12-15)18-14(2)24-26(19(18)23-13)16-7-5-4-6-8-16/h4-9,11-12H,10H2,1-3H3,(H,21,27).
What are the key properties of 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19588547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).