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

C27H37N5O4 — CID 92744525

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

(6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744525) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 92744525
• Molecular Formula: C27H37N5O4
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.28
• IUPAC Name: (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CCCCN1C(=O)c2cc(C(=O)NCc3ccccc3OCC)nn2C[C@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C27H37N5O4/c1-4-6-15-31-25(34)22-16-21(24(33)28-17-19-11-7-10-14-23(19)36-5-2)30-32(22)18-27(31,3)26(35)29-20-12-8-9-13-20/h7,10-11,14,16,20H,4-6,8-9,12-13,15,17-18H2,1-3H3,(H,28,33)(H,29,35)/t27-/m1/s1
• InChIKey: DOABICQLKLFTNB-HHHXNRCGSA-N
• XLogP: 3.29
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744525) is (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

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

The canonical SMILES for (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)NCc3ccccc3OCC)nn2C[C@]1(C)C(=O)NC1CCCC1.

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

The InChIKey is DOABICQLKLFTNB-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-4-6-15-31-25(34)22-16-21(24(33)28-17-19-11-7-10-14-23(19)36-5-2)30-32(22)18-27(31,3)26(35)29-20-12-8-9-13-20/h7,10-11,14,16,20H,4-6,8-9,12-13,15,17-18H2,1-3H3,(H,28,33)(H,29,35)/t27-/m1/s1.

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

(6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 495.62 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).