7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21N7O2 — CID 124964936

IUPAC7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCN3C(=O)c3ccc4nc[nH]c4c3)ccnc12
InChIInChI=1S/C21H21N7O2/c1-26(2)21(30)14-11-25-28-18(7-8-22-19(14)28)17-4-3-9-27(17)20(29)13-5-6-15-16(10-13)24-12-23-15/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyIBGJQCQGXHHPDP-QGZVFWFLSA-N
MW403.45 g/mol
LogP2.28
Rot. Bonds3

About 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124964936) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124964936
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCN3C(=O)c3ccc4nc[nH]c4c3)ccnc12
InChIInChI=1S/C21H21N7O2/c1-26(2)21(30)14-11-25-28-18(7-8-22-19(14)28)17-4-3-9-27(17)20(29)13-5-6-15-16(10-13)24-12-23-15/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyIBGJQCQGXHHPDP-QGZVFWFLSA-N
XLogP2.28
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964935
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968290
7-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110094764
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 95629049
N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125025787
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445
N-methyl-7-[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110111010
N,N-dimethyl-7-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124979301
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
N-cyclopentyl-7-[1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110152773

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124964936) is 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c([C@H]3CCCN3C(=O)c3ccc4nc[nH]c4c3)ccnc12.
What is the InChIKey of 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IBGJQCQGXHHPDP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-26(2)21(30)14-11-25-28-18(7-8-22-19(14)28)17-4-3-9-27(17)20(29)13-5-6-15-16(10-13)24-12-23-15/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124964936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).