(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H32ClN5O4 — CID 92744512

IUPAC(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3cc(Cl)ccc3OC)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H32ClN5O4/c1-4-5-12-30-23(33)20-14-19(22(32)28-18-13-16(26)10-11-21(18)35-3)29-31(20)15-25(30,2)24(34)27-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,34)(H,28,32)/t25-/m0/s1
InChIKeyULYMQKYRBLIRGI-VWLOTQADSA-N
MW502.02 g/mol
LogP3.87
Rot. Bonds8

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

(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744512) has the molecular formula C25H32ClN5O4 and a molecular weight of 502.02 g/mol. Its IUPAC name is (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744512
Molecular FormulaC25H32ClN5O4
Molecular Weight502.02 g/mol
Exact Mass501.21
IUPAC Name(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3cc(Cl)ccc3OC)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H32ClN5O4/c1-4-5-12-30-23(33)20-14-19(22(32)28-18-13-16(26)10-11-21(18)35-3)29-31(20)15-25(30,2)24(34)27-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,34)(H,28,32)/t25-/m0/s1
InChIKeyULYMQKYRBLIRGI-VWLOTQADSA-N
XLogP3.87
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758822
(6S)-5-butyl-2-N-(2-chloro-4-fluorophenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744554
(6S)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744516
(6S)-5-butyl-6-N-cyclopentyl-2-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744444
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758732
5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758930
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744469
(6R)-5-butyl-6-N-cyclopentyl-2-N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744557
5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758772

Frequently Asked Questions

What is the IUPAC name of (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744512) is (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)Nc3cc(Cl)ccc3OC)nn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is ULYMQKYRBLIRGI-VWLOTQADSA-N. The full InChI is InChI=1S/C25H32ClN5O4/c1-4-5-12-30-23(33)20-14-19(22(32)28-18-13-16(26)10-11-21(18)35-3)29-31(20)15-25(30,2)24(34)27-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,34)(H,28,32)/t25-/m0/s1.
What are the key properties of (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 502.02 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).