N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide

C17H19N5OS — CID 45189077

IUPACN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESCc1cc(C)n2nc(NC(=O)c3ccc(C4CCCN4)s3)cc2n1
InChIInChI=1S/C17H19N5OS/c1-10-8-11(2)22-16(19-10)9-15(21-22)20-17(23)14-6-5-13(24-14)12-4-3-7-18-12/h5-6,8-9,12,18H,3-4,7H2,1-2H3,(H,20,21,23)
InChIKeyDDPDOCIWVKTEHV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.08
Rot. Bonds3

About N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide (PubChem CID 45189077) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
PubChem CID45189077
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESCc1cc(C)n2nc(NC(=O)c3ccc(C4CCCN4)s3)cc2n1
InChIInChI=1S/C17H19N5OS/c1-10-8-11(2)22-16(19-10)9-15(21-22)20-17(23)14-6-5-13(24-14)12-4-3-7-18-12/h5-6,8-9,12,18H,3-4,7H2,1-2H3,(H,20,21,23)
InChIKeyDDPDOCIWVKTEHV-UHFFFAOYSA-N
XLogP3.08
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
CID 45251024
N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 31044771
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 31017599
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45206060
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31223583
N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 155910281

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide (CID 45189077) is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide is Cc1cc(C)n2nc(NC(=O)c3ccc(C4CCCN4)s3)cc2n1.
What is the InChIKey of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The InChIKey is DDPDOCIWVKTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-8-11(2)22-16(19-10)9-15(21-22)20-17(23)14-6-5-13(24-14)12-4-3-7-18-12/h5-6,8-9,12,18H,3-4,7H2,1-2H3,(H,20,21,23).
What are the key properties of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 45189077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).