N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H30N8O2 — CID 125019758

IUPACN-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)CN3CCC[C@@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn34)cc2[nH]1
InChIInChI=1S/C26H30N8O2/c1-16-29-20-9-8-18(13-21(20)30-16)31-24(35)15-33-12-4-7-22(33)23-10-11-27-25-19(14-28-34(23)25)26(36)32-17-5-2-3-6-17/h8-11,13-14,17,22H,2-7,12,15H2,1H3,(H,29,30)(H,31,35)(H,32,36)/t22-/m1/s1
InChIKeyXYELJVJRRPDCBU-JOCHJYFZSA-N
MW486.58 g/mol
LogP3.36
Rot. Bonds6

About N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 125019758) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID125019758
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC NameN-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)CN3CCC[C@@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn34)cc2[nH]1
InChIInChI=1S/C26H30N8O2/c1-16-29-20-9-8-18(13-21(20)30-16)31-24(35)15-33-12-4-7-22(33)23-10-11-27-25-19(14-28-34(23)25)26(36)32-17-5-2-3-6-17/h8-11,13-14,17,22H,2-7,12,15H2,1H3,(H,29,30)(H,31,35)(H,32,36)/t22-/m1/s1
InChIKeyXYELJVJRRPDCBU-JOCHJYFZSA-N
XLogP3.36
TPSA120.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[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 N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 125019758) is N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2ccc(NC(=O)CN3CCC[C@@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn34)cc2[nH]1.
What is the InChIKey of N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XYELJVJRRPDCBU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-16-29-20-9-8-18(13-21(20)30-16)31-24(35)15-33-12-4-7-22(33)23-10-11-27-25-19(14-28-34(23)25)26(36)32-17-5-2-3-6-17/h8-11,13-14,17,22H,2-7,12,15H2,1H3,(H,29,30)(H,31,35)(H,32,36)/t22-/m1/s1.
What are the key properties of N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-[(2R)-1-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoethyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 125019758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).