N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C30H35N3O3 — CID 20907899

IUPACN-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3CC2(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C30H35N3O3/c1-30(29(35)31-24-12-8-3-4-9-13-24)21-32-26(23-10-6-5-7-11-23)18-19-27(32)28(34)33(30)20-22-14-16-25(36-2)17-15-22/h5-7,10-11,14-19,24H,3-4,8-9,12-13,20-21H2,1-2H3,(H,31,35)
InChIKeyNYMGVIHEPHBKSO-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.42
Rot. Bonds6

About N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 20907899) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID20907899
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3CC2(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C30H35N3O3/c1-30(29(35)31-24-12-8-3-4-9-13-24)21-32-26(23-10-6-5-7-11-23)18-19-27(32)28(34)33(30)20-22-14-16-25(36-2)17-15-22/h5-7,10-11,14-19,24H,3-4,8-9,12-13,20-21H2,1-2H3,(H,31,35)
InChIKeyNYMGVIHEPHBKSO-UHFFFAOYSA-N
XLogP5.42
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopentyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92742145
(3S)-N-cyclopentyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92886627
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734796
N-cyclooctyl-3-methyl-1-oxo-6-phenyl-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907911
(3R)-2-benzyl-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704259
N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 50757978
(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92886636
N-cyclohexyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46275395
2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907926
(3R)-N-cycloheptyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704268
N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756953
(3S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92734756

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 20907899) is N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3CC2(C)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NYMGVIHEPHBKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-30(29(35)31-24-12-8-3-4-9-13-24)21-32-26(23-10-6-5-7-11-23)18-19-27(32)28(34)33(30)20-22-14-16-25(36-2)17-15-22/h5-7,10-11,14-19,24H,3-4,8-9,12-13,20-21H2,1-2H3,(H,31,35).
What are the key properties of N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 20907899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).