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

C25H28N4O4S — CID 95062693

IUPAC(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-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)c(OC)c1
InChIInChI=1S/C25H28N4O4S/c1-25(24(31)26-16-7-4-5-8-16)15-28-20(14-18(27-28)22-9-6-12-34-22)23(30)29(25)19-11-10-17(32-2)13-21(19)33-3/h6,9-14,16H,4-5,7-8,15H2,1-3H3,(H,26,31)/t25-/m0/s1
InChIKeyXDZYHCGOYDGAET-VWLOTQADSA-N
MW480.59 g/mol
LogP4.11
Rot. Bonds6

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

(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062693) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062693
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-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)c(OC)c1
InChIInChI=1S/C25H28N4O4S/c1-25(24(31)26-16-7-4-5-8-16)15-28-20(14-18(27-28)22-9-6-12-34-22)23(30)29(25)19-11-10-17(32-2)13-21(19)33-3/h6,9-14,16H,4-5,7-8,15H2,1-3H3,(H,26,31)/t25-/m0/s1
InChIKeyXDZYHCGOYDGAET-VWLOTQADSA-N
XLogP4.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(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)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
(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
(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-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556
(6S)-5-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062390
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-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738602
(3R)-N-cyclopentyl-2-(2,4-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739676
(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
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756837

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (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) is (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-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)c(OC)c1.
What is the InChIKey of (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is XDZYHCGOYDGAET-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-25(24(31)26-16-7-4-5-8-16)15-28-20(14-18(27-28)22-9-6-12-34-22)23(30)29(25)19-11-10-17(32-2)13-21(19)33-3/h6,9-14,16H,4-5,7-8,15H2,1-3H3,(H,26,31)/t25-/m0/s1.
What are the key properties of (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).