N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H29N7O2 — CID 124947005

IUPACN-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c([C@@H]3CCCN3C(=O)c3cccc(Cn4ccnc4)c3)ccnc12
InChIInChI=1S/C27H29N7O2/c35-26(31-21-7-1-2-8-21)22-16-30-34-24(10-11-29-25(22)34)23-9-4-13-33(23)27(36)20-6-3-5-19(15-20)17-32-14-12-28-18-32/h3,5-6,10-12,14-16,18,21,23H,1-2,4,7-9,13,17H2,(H,31,35)/t23-/m0/s1
InChIKeyCCLAOJJEVXYEJW-QHCPKHFHSA-N
MW483.58 g/mol
LogP3.62
Rot. Bonds6

About N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124947005) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124947005
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC NameN-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c([C@@H]3CCCN3C(=O)c3cccc(Cn4ccnc4)c3)ccnc12
InChIInChI=1S/C27H29N7O2/c35-26(31-21-7-1-2-8-21)22-16-30-34-24(10-11-29-25(22)34)23-9-4-13-33(23)27(36)20-6-3-5-19(15-20)17-32-14-12-28-18-32/h3,5-6,10-12,14-16,18,21,23H,1-2,4,7-9,13,17H2,(H,31,35)/t23-/m0/s1
InChIKeyCCLAOJJEVXYEJW-QHCPKHFHSA-N
XLogP3.62
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-7-[1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110152773
N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125025787
6-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 125005305
N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124945586
N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124951015
N-cyclopentyl-7-[(2S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124951014
N-methyl-7-[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110111010
3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 154775636
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964935
7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964936
[3-(imidazol-1-ylmethyl)phenyl]-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 129455816

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124947005) is N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1cnn2c([C@@H]3CCCN3C(=O)c3cccc(Cn4ccnc4)c3)ccnc12.
What is the InChIKey of N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CCLAOJJEVXYEJW-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-26(31-21-7-1-2-8-21)22-16-30-34-24(10-11-29-25(22)34)23-9-4-13-33(23)27(36)20-6-3-5-19(15-20)17-32-14-12-28-18-32/h3,5-6,10-12,14-16,18,21,23H,1-2,4,7-9,13,17H2,(H,31,35)/t23-/m0/s1.
What are the key properties of N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124947005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).