3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole

C24H31N3 — CID 134330051

IUPAC3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(C)C)CC3)cc12
InChIInChI=1S/C24H31N3/c1-5-21-22-15-19(18-9-12-27(13-10-18)16(2)3)6-7-23(22)26-24(21)20-8-11-25-17(4)14-20/h6-8,11,14-16,18,26H,5,9-10,12-13H2,1-4H3
InChIKeyKPFYVTQBGUGUQJ-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.69
Rot. Bonds4

About 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole

3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole (PubChem CID 134330051) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
PubChem CID134330051
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(C)C)CC3)cc12
InChIInChI=1S/C24H31N3/c1-5-21-22-15-19(18-9-12-27(13-10-18)16(2)3)6-7-23(22)26-24(21)20-8-11-25-17(4)14-20/h6-8,11,14-16,18,26H,5,9-10,12-13H2,1-4H3
InChIKeyKPFYVTQBGUGUQJ-UHFFFAOYSA-N
XLogP5.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
1-[(1R,2R)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]cyclopropyl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 157373153
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329430
N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 151897106
1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
CID 142594229
5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide
CID 170169794
6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 142594226
2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
CID 134329795

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole (CID 134330051) is 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(C)C)CC3)cc12.
What is the InChIKey of 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
The InChIKey is KPFYVTQBGUGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-5-21-22-15-19(18-9-12-27(13-10-18)16(2)3)6-7-23(22)26-24(21)20-8-11-25-17(4)14-20/h6-8,11,14-16,18,26H,5,9-10,12-13H2,1-4H3.
What are the key properties of 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole?
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole has a molecular weight of 361.53 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 134330051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).