(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H32N4O3 — CID 92739425

IUPAC(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C27H32N4O3/c1-4-20-11-13-21(14-12-20)18-30-25(32)24-17-23(22-9-6-5-7-10-22)29-31(24)19-27(30,2)26(33)28-15-8-16-34-3/h5-7,9-14,17H,4,8,15-16,18-19H2,1-3H3,(H,28,33)/t27-/m1/s1
InChIKeyFUHXJWFFTHPPFP-HHHXNRCGSA-N
MW460.58 g/mol
LogP3.68
Rot. Bonds9

About (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739425) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92739425
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C27H32N4O3/c1-4-20-11-13-21(14-12-20)18-30-25(32)24-17-23(22-9-6-5-7-10-22)29-31(24)19-27(30,2)26(33)28-15-8-16-34-3/h5-7,9-14,17H,4,8,15-16,18-19H2,1-3H3,(H,28,33)/t27-/m1/s1
InChIKeyFUHXJWFFTHPPFP-HHHXNRCGSA-N
XLogP3.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739425) is (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCCCOC)cc1.
What is the InChIKey of (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FUHXJWFFTHPPFP-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-4-20-11-13-21(14-12-20)18-30-25(32)24-17-23(22-9-6-5-7-10-22)29-31(24)19-27(30,2)26(33)28-15-8-16-34-3/h5-7,9-14,17H,4,8,15-16,18-19H2,1-3H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).