N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide

C18H14N6O — CID 71601928

IUPACN-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C18H14N6O/c1-12-20-15-11-24(14-7-3-2-4-8-14)23-16(15)17(21-12)22-18(25)13-6-5-9-19-10-13/h2-11H,1H3,(H,20,21,22,25)
InChIKeyRIHPLGXUJSXXIT-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.77
Rot. Bonds3

About N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide

N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide (PubChem CID 71601928) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
PubChem CID71601928
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C18H14N6O/c1-12-20-15-11-24(14-7-3-2-4-8-14)23-16(15)17(21-12)22-18(25)13-6-5-9-19-10-13/h2-11H,1H3,(H,20,21,22,25)
InChIKeyRIHPLGXUJSXXIT-UHFFFAOYSA-N
XLogP2.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Fn-1501
CID 72195175
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
GSK-3|A inhibitor 13
CID 134551592
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
CID 25099474
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
Dipyridodiazepinone deriv. 52
CID 463572
Dipyridodiazepinone deriv. 53
CID 463573
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 25101485

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide (CID 71601928) is N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2cccnc2)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
The InChIKey is RIHPLGXUJSXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-12-20-15-11-24(14-7-3-2-4-8-14)23-16(15)17(21-12)22-18(25)13-6-5-9-19-10-13/h2-11H,1H3,(H,20,21,22,25).
What are the key properties of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide?
N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71601928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).