[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

C18H25N3O2 — CID 154778636

IUPAC[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C18H25N3O2/c22-18(21-8-7-14-3-1-2-4-16(14)21)15-5-6-17(19-13-15)20-9-11-23-12-10-20/h5-6,13-14,16H,1-4,7-12H2/t14-,16-/m0/s1
InChIKeyNADBJTOJNZKDFH-HOCLYGCPSA-N
MW315.42 g/mol
LogP2.32
Rot. Bonds2

About [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 154778636) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID154778636
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C18H25N3O2/c22-18(21-8-7-14-3-1-2-4-16(14)21)15-5-6-17(19-13-15)20-9-11-23-12-10-20/h5-6,13-14,16H,1-4,7-12H2/t14-,16-/m0/s1
InChIKeyNADBJTOJNZKDFH-HOCLYGCPSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 24685141
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-hydrazinylphenyl)methanone
CID 82752954
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
(3R,6R)-6-methyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 95585110
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 51724704
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8802986

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (CID 154778636) is [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@@H]2CCCC[C@@H]21.
What is the InChIKey of [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is NADBJTOJNZKDFH-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(21-8-7-14-3-1-2-4-16(14)21)15-5-6-17(19-13-15)20-9-11-23-12-10-20/h5-6,13-14,16H,1-4,7-12H2/t14-,16-/m0/s1.
What are the key properties of [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 154778636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).