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

C24H31N5O4 — CID 92744206

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

(6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744206) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 92744206
• Molecular Formula: C24H31N5O4
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.24
• IUPAC Name: (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H31N5O4/c1-4-28-22(31)20-13-19(21(30)25-14-16-9-11-18(33-3)12-10-16)27-29(20)15-24(28,2)23(32)26-17-7-5-6-8-17/h9-13,17H,4-8,14-15H2,1-3H3,(H,25,30)(H,26,32)/t24-/m0/s1
• InChIKey: FFSLPPPBIPOGIA-DEOSSOPVSA-N
• XLogP: 2.11
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The IUPAC name of (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744206) is (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

What is the SMILES notation for (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The canonical SMILES for (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1.

What is the InChIKey of (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is FFSLPPPBIPOGIA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-28-22(31)20-13-19(21(30)25-14-16-9-11-18(33-3)12-10-16)27-29(20)15-24(28,2)23(32)26-17-7-5-6-8-17/h9-13,17H,4-8,14-15H2,1-3H3,(H,25,30)(H,26,32)/t24-/m0/s1.

What are the key properties of (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

(6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).