[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone

C24H26N4O2 — CID 29088321

IUPAC[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccccn5)CC[C@@H]43)cc2c1
InChIInChI=1S/C24H26N4O2/c1-16-7-8-19-18(13-16)14-21(26-19)24(30)28-11-4-5-17-15-27(12-9-22(17)28)23(29)20-6-2-3-10-25-20/h2-3,6-8,10,13-14,17,22,26H,4-5,9,11-12,15H2,1H3/t17-,22+/m1/s1
InChIKeyODGNSBZTIXBPQV-VGSWGCGISA-N
MW402.50 g/mol
LogP3.64
Rot. Bonds2

About [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone

[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone (PubChem CID 29088321) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone
PubChem CID29088321
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccccn5)CC[C@@H]43)cc2c1
InChIInChI=1S/C24H26N4O2/c1-16-7-8-19-18(13-16)14-21(26-19)24(30)28-11-4-5-17-15-27(12-9-22(17)28)23(29)20-6-2-3-10-25-20/h2-3,6-8,10,13-14,17,22,26H,4-5,9,11-12,15H2,1H3/t17-,22+/m1/s1
InChIKeyODGNSBZTIXBPQV-VGSWGCGISA-N
XLogP3.64
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(4aS,8aR)-1-(5-fluoro-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-methoxyethanone
CID 133125587
[2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 167764537
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
(5-methyl-1H-indol-2-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126446207
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 166206976
(5-methyl-1H-indol-2-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602704
1-[(4aR,8aS)-6-(1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 45176676
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
1-[(5aS,9aR)-1-(6-methylpyridine-2-carbonyl)-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]ethanone
CID 110124495

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone (CID 29088321) is [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone is Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccccn5)CC[C@@H]43)cc2c1.
What is the InChIKey of [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone?
The InChIKey is ODGNSBZTIXBPQV-VGSWGCGISA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-7-8-19-18(13-16)14-21(26-19)24(30)28-11-4-5-17-15-27(12-9-22(17)28)23(29)20-6-2-3-10-25-20/h2-3,6-8,10,13-14,17,22,26H,4-5,9,11-12,15H2,1H3/t17-,22+/m1/s1.
What are the key properties of [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone?
[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 29088321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).