2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H18N6O2 — CID 46976748

IUPAC2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1[nH]n2c(=O)cc(C(=O)Nc3ccc4ncn(C)c4c3)nc2c1-c1ccccc1
InChIInChI=1S/C22H18N6O2/c1-13-20(14-6-4-3-5-7-14)21-25-17(11-19(29)28(21)26-13)22(30)24-15-8-9-16-18(10-15)27(2)12-23-16/h3-12,26H,1-2H3,(H,24,30)
InChIKeyOWDYPXVPNLJIIC-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.14
Rot. Bonds3

About 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide

2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46976748) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46976748
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1[nH]n2c(=O)cc(C(=O)Nc3ccc4ncn(C)c4c3)nc2c1-c1ccccc1
InChIInChI=1S/C22H18N6O2/c1-13-20(14-6-4-3-5-7-14)21-25-17(11-19(29)28(21)26-13)22(30)24-15-8-9-16-18(10-15)27(2)12-23-16/h3-12,26H,1-2H3,(H,24,30)
InChIKeyOWDYPXVPNLJIIC-UHFFFAOYSA-N
XLogP3.14
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-7-oxo-3-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 98139431
5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide
CID 167913151
N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 158611121
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606555
N-[4-[3-(4-chlorophenyl)-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 155543204
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
1-methyl-6-phenylbenzimidazole
CID 135028518
methyl 3-(2,6-dimethylphenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481144
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 147685981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 46976748) is 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1[nH]n2c(=O)cc(C(=O)Nc3ccc4ncn(C)c4c3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is OWDYPXVPNLJIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c1-13-20(14-6-4-3-5-7-14)21-25-17(11-19(29)28(21)26-13)22(30)24-15-8-9-16-18(10-15)27(2)12-23-16/h3-12,26H,1-2H3,(H,24,30).
What are the key properties of 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbenzimidazol-5-yl)-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46976748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).