N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C34H31N7O2 — CID 171684559

IUPACN-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(C4CCN(C(=O)c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)cc3)c2n1
InChIInChI=1S/C34H31N7O2/c1-21-19-22(2)41-32(36-21)28(20-35-41)33(42)37-27-13-11-23(12-14-27)24-15-17-40(18-16-24)34(43)26-9-7-25(8-10-26)31-38-29-5-3-4-6-30(29)39-31/h3-14,19-20,24H,15-18H2,1-2H3,(H,37,42)(H,38,39)
InChIKeyZEGHWHGEEPPOPA-UHFFFAOYSA-N
MW569.67 g/mol
LogP6.16
Rot. Bonds5

About N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171684559) has the molecular formula C34H31N7O2 and a molecular weight of 569.67 g/mol. Its IUPAC name is N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171684559
Molecular FormulaC34H31N7O2
Molecular Weight569.67 g/mol
Exact Mass569.25
IUPAC NameN-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(C4CCN(C(=O)c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)cc3)c2n1
InChIInChI=1S/C34H31N7O2/c1-21-19-22(2)41-32(36-21)28(20-35-41)33(42)37-27-13-11-23(12-14-27)24-15-17-40(18-16-24)34(43)26-9-7-25(8-10-26)31-38-29-5-3-4-6-30(29)39-31/h3-14,19-20,24H,15-18H2,1-2H3,(H,37,42)(H,38,39)
InChIKeyZEGHWHGEEPPOPA-UHFFFAOYSA-N
XLogP6.16
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-imidazol-2-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327402
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
N-[4-[1-[1-[3-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166354262
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
CID 166207622
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55580941
N-[4-[1-[1-[1-(2-chlorophenyl)-5-(difluoromethyl)-3-methylpyrazole-4-carbonyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167846428
N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 171681554

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171684559) is N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4CCN(C(=O)c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)cc3)c2n1.
What is the InChIKey of N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZEGHWHGEEPPOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N7O2/c1-21-19-22(2)41-32(36-21)28(20-35-41)33(42)37-27-13-11-23(12-14-27)24-15-17-40(18-16-24)34(43)26-9-7-25(8-10-26)31-38-29-5-3-4-6-30(29)39-31/h3-14,19-20,24H,15-18H2,1-2H3,(H,37,42)(H,38,39).
What are the key properties of N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 569.67 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171684559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).