(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H32N4O4 — CID 92738686

IUPAC(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H32N4O4/c1-27(26(33)28-20-11-5-3-4-6-12-20)18-31-22(16-21(29-31)24-14-9-15-35-24)25(32)30(27)17-19-10-7-8-13-23(19)34-2/h7-10,13-16,20H,3-6,11-12,17-18H2,1-2H3,(H,28,33)/t27-/m1/s1
InChIKeyQNXFOEFVTSQPQE-HHHXNRCGSA-N
MW476.58 g/mol
LogP4.41
Rot. Bonds6

About (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738686) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738686
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H32N4O4/c1-27(26(33)28-20-11-5-3-4-6-12-20)18-31-22(16-21(29-31)24-14-9-15-35-24)25(32)30(27)17-19-10-7-8-13-23(19)34-2/h7-10,13-16,20H,3-6,11-12,17-18H2,1-2H3,(H,28,33)/t27-/m1/s1
InChIKeyQNXFOEFVTSQPQE-HHHXNRCGSA-N
XLogP4.41
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-cyclooctyl-5-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522202
N-cycloheptyl-2-(furan-2-yl)-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272565
N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554270
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741333
N-cyclohexyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274220
N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274362
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272581
N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522328
N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274316
N-cycloheptyl-5-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272587
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172110
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272580

Frequently Asked Questions

What is the IUPAC name of (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738686) is (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is QNXFOEFVTSQPQE-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-27(26(33)28-20-11-5-3-4-6-12-20)18-31-22(16-21(29-31)24-14-9-15-35-24)25(32)30(27)17-19-10-7-8-13-23(19)34-2/h7-10,13-16,20H,3-6,11-12,17-18H2,1-2H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).