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

C27H37N5O4 — CID 92744304

IUPAC(6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(CC)C3=O)cc1
InChIInChI=1S/C27H37N5O4/c1-4-6-15-36-21-13-11-19(12-14-21)17-28-24(33)22-16-23-25(34)31(5-2)27(3,18-32(23)30-22)26(35)29-20-9-7-8-10-20/h11-14,16,20H,4-10,15,17-18H2,1-3H3,(H,28,33)(H,29,35)/t27-/m1/s1
InChIKeyQYVNFOWQWDLKPH-HHHXNRCGSA-N
MW495.62 g/mol
LogP3.29
Rot. Bonds10

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

(6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744304) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744304
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Name(6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(CC)C3=O)cc1
InChIInChI=1S/C27H37N5O4/c1-4-6-15-36-21-13-11-19(12-14-21)17-28-24(33)22-16-23-25(34)31(5-2)27(3,18-32(23)30-22)26(35)29-20-9-7-8-10-20/h11-14,16,20H,4-10,15,17-18H2,1-3H3,(H,28,33)(H,29,35)/t27-/m1/s1
InChIKeyQYVNFOWQWDLKPH-HHHXNRCGSA-N
XLogP3.29
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 71219692
(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
(6R)-6-N-cyclopentyl-5-ethyl-2-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744289
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758764
(6R)-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744179
6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758629
(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744462
2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758741
5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758732
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743137

Frequently Asked Questions

What is the IUPAC name of (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744304) is (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(CC)C3=O)cc1.
What is the InChIKey of (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is QYVNFOWQWDLKPH-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-4-6-15-36-21-13-11-19(12-14-21)17-28-24(33)22-16-23-25(34)31(5-2)27(3,18-32(23)30-22)26(35)29-20-9-7-8-10-20/h11-14,16,20H,4-10,15,17-18H2,1-3H3,(H,28,33)(H,29,35)/t27-/m1/s1.
What are the key properties of (6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-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)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).