1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one

C26H35N3O — CID 137464445

IUPAC1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
SMILESCCCN1CCC(c2ccc3[nH]c(-c4cc(C)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H35N3O/c1-6-11-29-12-9-19(10-13-29)20-7-8-23-22(15-20)24(17(2)3)25(27-23)21-14-18(4)26(30)28(5)16-21/h7-8,14-17,19,27H,6,9-13H2,1-5H3
InChIKeyZPWBPINLXSFOAC-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.55
Rot. Bonds5

About 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one

1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one (PubChem CID 137464445) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
PubChem CID137464445
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
SMILESCCCN1CCC(c2ccc3[nH]c(-c4cc(C)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H35N3O/c1-6-11-29-12-9-19(10-13-29)20-7-8-23-22(15-20)24(17(2)3)25(27-23)21-14-18(4)26(30)28(5)16-21/h7-8,14-17,19,27H,6,9-13H2,1-5H3
InChIKeyZPWBPINLXSFOAC-UHFFFAOYSA-N
XLogP5.55
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one with MolForge

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Related Compounds

5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464327
1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one
CID 137464604
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
8-methyl-6-[5-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 167082320
3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one
CID 137464364
1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
CID 137464689
1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
CID 137464342
1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
CID 137464602
1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
CID 138688605

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one (CID 137464445) is 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one is CCCN1CCC(c2ccc3[nH]c(-c4cc(C)c(=O)n(C)c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
The InChIKey is ZPWBPINLXSFOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-6-11-29-12-9-19(10-13-29)20-7-8-23-22(15-20)24(17(2)3)25(27-23)21-14-18(4)26(30)28(5)16-21/h7-8,14-17,19,27H,6,9-13H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one has a molecular weight of 405.59 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one is sourced from PubChem (CID 137464445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).