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

C24H25ClN4O2S — CID 95062689

IUPAC(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cc(Cl)ccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H25ClN4O2S/c1-15-12-16(25)9-10-19(15)29-22(30)20-13-18(21-8-5-11-32-21)27-28(20)14-24(29,2)23(31)26-17-6-3-4-7-17/h5,8-13,17H,3-4,6-7,14H2,1-2H3,(H,26,31)/t24-/m1/s1
InChIKeyUNZFEQSBUICIQG-XMMPIXPASA-N
MW469.01 g/mol
LogP5.05
Rot. Bonds4

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

(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062689) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062689
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC Name(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cc(Cl)ccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H25ClN4O2S/c1-15-12-16(25)9-10-19(15)29-22(30)20-13-18(21-8-5-11-32-21)27-28(20)14-24(29,2)23(31)26-17-6-3-4-7-17/h5,8-13,17H,3-4,6-7,14H2,1-2H3,(H,26,31)/t24-/m1/s1
InChIKeyUNZFEQSBUICIQG-XMMPIXPASA-N
XLogP5.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
(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
methyl (6R)-5-(4-chloro-2-methylphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744574
(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
(6S)-5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062562
5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049275
(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)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738602
(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
(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738522

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (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) is (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cc(Cl)ccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is UNZFEQSBUICIQG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c1-15-12-16(25)9-10-19(15)29-22(30)20-13-18(21-8-5-11-32-21)27-28(20)14-24(29,2)23(31)26-17-6-3-4-7-17/h5,8-13,17H,3-4,6-7,14H2,1-2H3,(H,26,31)/t24-/m1/s1.
What are the key properties of (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).