(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H25ClN4O3S — CID 95062741

IUPAC(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C24H25ClN4O3S/c1-24(23(31)26-15-6-3-4-7-15)14-28-19(13-18(27-28)21-8-5-11-33-21)22(30)29(24)16-9-10-20(32-2)17(25)12-16/h5,8-13,15H,3-4,6-7,14H2,1-2H3,(H,26,31)/t24-/m0/s1
InChIKeyHASQYWPBVLJBME-DEOSSOPVSA-N
MW485.01 g/mol
LogP4.75
Rot. Bonds5

About (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062741) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062741
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C24H25ClN4O3S/c1-24(23(31)26-15-6-3-4-7-15)14-28-19(13-18(27-28)21-8-5-11-33-21)22(30)29(24)16-9-10-20(32-2)17(25)12-16/h5,8-13,15H,3-4,6-7,14H2,1-2H3,(H,26,31)/t24-/m0/s1
InChIKeyHASQYWPBVLJBME-DEOSSOPVSA-N
XLogP4.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556
(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062693
(6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738578
(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062689
(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
(6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738602
N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272539
(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062748
methyl (6S)-5-(3-chloro-4-methylphenyl)-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744627
methyl 7-(3-chloro-4-methoxyphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 46277633
(6S)-N-tert-butyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062800

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062741) is (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1Cl.
What is the InChIKey of (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is HASQYWPBVLJBME-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-24(23(31)26-15-6-3-4-7-15)14-28-19(13-18(27-28)21-8-5-11-33-21)22(30)29(24)16-9-10-20(32-2)17(25)12-16/h5,8-13,15H,3-4,6-7,14H2,1-2H3,(H,26,31)/t24-/m0/s1.
What are the key properties of (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(3-chloro-4-methoxyphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).