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

C21H21N7O2 — CID 124964935

IUPAC7-[(2S)-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-/m0/s1
InChIKeyIBGJQCQGXHHPDP-KRWDZBQOSA-N
MW403.45 g/mol
LogP2.28
Rot. Bonds3

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

7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124964935) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124964935
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name7-[(2S)-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-/m0/s1
InChIKeyIBGJQCQGXHHPDP-KRWDZBQOSA-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-[(2S)-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

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124964935) is 7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2S)-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-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IBGJQCQGXHHPDP-KRWDZBQOSA-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-/m0/s1.
What are the key properties of 7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(2S)-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-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124964935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).