N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H37N7O2 — CID 124945586

IUPACN-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(N(C)CC(=O)N2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)CC1
InChIInChI=1S/C25H37N7O2/c1-29-14-10-19(11-15-29)30(2)17-23(33)31-13-5-8-21(31)22-9-12-26-24-20(16-27-32(22)24)25(34)28-18-6-3-4-7-18/h9,12,16,18-19,21H,3-8,10-11,13-15,17H2,1-2H3,(H,28,34)/t21-/m0/s1
InChIKeyBSCDNZQFFRFAAK-NRFANRHFSA-N
MW467.62 g/mol
LogP2.09
Rot. Bonds6

About N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124945586) has the molecular formula C25H37N7O2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124945586
Molecular FormulaC25H37N7O2
Molecular Weight467.62 g/mol
Exact Mass467.30
IUPAC NameN-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(N(C)CC(=O)N2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)CC1
InChIInChI=1S/C25H37N7O2/c1-29-14-10-19(11-15-29)30(2)17-23(33)31-13-5-8-21(31)22-9-12-26-24-20(16-27-32(22)24)25(34)28-18-6-3-4-7-18/h9,12,16,18-19,21H,3-8,10-11,13-15,17H2,1-2H3,(H,28,34)/t21-/m0/s1
InChIKeyBSCDNZQFFRFAAK-NRFANRHFSA-N
XLogP2.09
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124984962
N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985846
N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125025787
N-methyl-7-[1-(2-morpholin-4-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110111026
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-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124947005
N-methyl-7-[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110111010
7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110100967
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
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968290

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 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) is N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(N(C)CC(=O)N2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)CC1.
What is the InChIKey of N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BSCDNZQFFRFAAK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H37N7O2/c1-29-14-10-19(11-15-29)30(2)17-23(33)31-13-5-8-21(31)22-9-12-26-24-20(16-27-32(22)24)25(34)28-18-6-3-4-7-18/h9,12,16,18-19,21H,3-8,10-11,13-15,17H2,1-2H3,(H,28,34)/t21-/m0/s1.
What are the key properties of N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-7-[(2S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 2.09, 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-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124945586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).