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

C27H32N4O3 — CID 92739416

IUPAC(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C(C)C)cc1
InChIInChI=1S/C27H32N4O3/c1-19(2)20-11-13-22(14-12-20)31-25(32)24-17-23(21-9-6-5-7-10-21)29-30(24)18-27(31,3)26(33)28-15-8-16-34-4/h5-7,9-14,17,19H,8,15-16,18H2,1-4H3,(H,28,33)/t27-/m1/s1
InChIKeyBBSYPONELCTCQD-HHHXNRCGSA-N
MW460.58 g/mol
LogP4.25
Rot. Bonds8

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

(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739416) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92739416
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C(C)C)cc1
InChIInChI=1S/C27H32N4O3/c1-19(2)20-11-13-22(14-12-20)31-25(32)24-17-23(21-9-6-5-7-10-21)29-30(24)18-27(31,3)26(33)28-15-8-16-34-4/h5-7,9-14,17,19H,8,15-16,18H2,1-4H3,(H,28,33)/t27-/m1/s1
InChIKeyBBSYPONELCTCQD-HHHXNRCGSA-N
XLogP4.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.25
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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Related Compounds

5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756491
(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739407
5-(2-fluorophenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756536
(6R)-5-[(4-ethylphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739425
(6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739409
(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739403
(6S)-N-benzyl-5-(4-chlorophenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739052
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739347
ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745191
2-(furan-2-yl)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049574
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049424

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739416) is (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C(C)C)cc1.
What is the InChIKey of (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BBSYPONELCTCQD-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-19(2)20-11-13-22(14-12-20)31-25(32)24-17-23(21-9-6-5-7-10-21)29-30(24)18-27(31,3)26(33)28-15-8-16-34-4/h5-7,9-14,17,19H,8,15-16,18H2,1-4H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).