N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H31N3O4 — CID 50756953

IUPACN-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3CC2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C27H31N3O4/c1-27(26(32)28-20-6-4-5-7-20)17-29-23-15-22(34-3)13-10-19(23)14-24(29)25(31)30(27)16-18-8-11-21(33-2)12-9-18/h8-15,20H,4-7,16-17H2,1-3H3,(H,28,32)
InChIKeyOXSKHKWGBQCEHK-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.13
Rot. Bonds6

About N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756953) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756953
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3CC2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C27H31N3O4/c1-27(26(32)28-20-6-4-5-7-20)17-29-23-15-22(34-3)13-10-19(23)14-24(29)25(31)30(27)16-18-8-11-21(33-2)12-9-18/h8-15,20H,4-7,16-17H2,1-3H3,(H,28,32)
InChIKeyOXSKHKWGBQCEHK-UHFFFAOYSA-N
XLogP4.13
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cycloheptyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704268
(3R)-2-benzyl-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704259
(3R)-2-[(4-chlorophenyl)methyl]-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704263
(3S)-N-cyclooctyl-2-[(4-fluorophenyl)methyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704433
(3S)-N-cyclopentyl-2-[(4-ethoxyphenyl)methyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739843
(3R)-N-cycloheptyl-7-methoxy-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92720679
(3S)-2-[(3-chlorophenyl)methyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739505
2-[(2-chlorophenyl)methyl]-N-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273062
N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273093
(3S)-2-butyl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739552
(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739571
N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523314

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756953) is N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3CC2(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is OXSKHKWGBQCEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-27(26(32)28-20-6-4-5-7-20)17-29-23-15-22(34-3)13-10-19(23)14-24(29)25(31)30(27)16-18-8-11-21(33-2)12-9-18/h8-15,20H,4-7,16-17H2,1-3H3,(H,28,32).
What are the key properties of N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).