1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H20N6O — CID 146090748

IUPAC1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ncc(-c4ccccc4)cn3)c12
InChIInChI=1S/C25H20N6O/c1-16-22-20(13-21(18-11-7-4-8-12-18)28-23(22)31(2)30-16)24(32)29-25-26-14-19(15-27-25)17-9-5-3-6-10-17/h3-15H,1-2H3,(H,26,27,29,32)
InChIKeySFTSBTJRVVKJKJ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.65
Rot. Bonds4

About 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146090748) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146090748
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ncc(-c4ccccc4)cn3)c12
InChIInChI=1S/C25H20N6O/c1-16-22-20(13-21(18-11-7-4-8-12-18)28-23(22)31(2)30-16)24(32)29-25-26-14-19(15-27-25)17-9-5-3-6-10-17/h3-15H,1-2H3,(H,26,27,29,32)
InChIKeySFTSBTJRVVKJKJ-UHFFFAOYSA-N
XLogP4.65
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015895
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31171942
1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167984793
1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55976200
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 146090748) is 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ncc(-c4ccccc4)cn3)c12.
What is the InChIKey of 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SFTSBTJRVVKJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-16-22-20(13-21(18-11-7-4-8-12-18)28-23(22)31(2)30-16)24(32)29-25-26-14-19(15-27-25)17-9-5-3-6-10-17/h3-15H,1-2H3,(H,26,27,29,32).
What are the key properties of 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146090748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).