(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H39N3O5 — CID 92704184

IUPAC(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOCCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C27H39N3O5/c1-17-9-7-10-20(18(17)2)28-26(32)27(3)16-29-21(25(31)30(27)13-8-14-33-4)15-19-22(34-5)11-12-23(35-6)24(19)29/h11-12,15,17-18,20H,7-10,13-14,16H2,1-6H3,(H,28,32)/t17-,18+,20-,27-/m1/s1
InChIKeyCZCTUDYCNQLVLL-KSASLJLBSA-N
MW485.63 g/mol
LogP3.85
Rot. Bonds8

About (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92704184) has the molecular formula C27H39N3O5 and a molecular weight of 485.63 g/mol. Its IUPAC name is (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92704184
Molecular FormulaC27H39N3O5
Molecular Weight485.63 g/mol
Exact Mass485.29
IUPAC Name(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOCCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C27H39N3O5/c1-17-9-7-10-20(18(17)2)28-26(32)27(3)16-29-21(25(31)30(27)13-8-14-33-4)15-19-22(34-5)11-12-23(35-6)24(19)29/h11-12,15,17-18,20H,7-10,13-14,16H2,1-6H3,(H,28,32)/t17-,18+,20-,27-/m1/s1
InChIKeyCZCTUDYCNQLVLL-KSASLJLBSA-N
XLogP3.85
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523447
N-cyclooctyl-6,9-dimethoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523444
N-cyclopentyl-2-ethyl-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;methanol
CID 143130275
(11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92738079
N-cyclopentyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273083
(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739591
(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-[(2-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92738051
(3S)-2-benzyl-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739589
N-(2,3-dimethylcyclohexyl)-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757219
(3R)-2-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 124772386
(11R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-(3-phenylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420317
(3R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 98749273

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92704184) is (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COCCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C.
What is the InChIKey of (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is CZCTUDYCNQLVLL-KSASLJLBSA-N. The full InChI is InChI=1S/C27H39N3O5/c1-17-9-7-10-20(18(17)2)28-26(32)27(3)16-29-21(25(31)30(27)13-8-14-33-4)15-19-22(34-5)11-12-23(35-6)24(19)29/h11-12,15,17-18,20H,7-10,13-14,16H2,1-6H3,(H,28,32)/t17-,18+,20-,27-/m1/s1.
What are the key properties of (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).