5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one

C23H29N3O — CID 154639401

IUPAC5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one
SMILESCc1c(-c2[nH]c3ccc(CC4CNC4)cc3c2C(C)C)cn(C)c(=O)c1C
InChIInChI=1S/C23H29N3O/c1-13(2)21-18-9-16(8-17-10-24-11-17)6-7-20(18)25-22(21)19-12-26(5)23(27)15(4)14(19)3/h6-7,9,12-13,17,24-25H,8,10-11H2,1-5H3
InChIKeyIBWZUUUPFSDXKE-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.04
Rot. Bonds4

About 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one

5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one (PubChem CID 154639401) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one.

Molecular Properties

Compound Name5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one
PubChem CID154639401
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one
SMILESCc1c(-c2[nH]c3ccc(CC4CNC4)cc3c2C(C)C)cn(C)c(=O)c1C
InChIInChI=1S/C23H29N3O/c1-13(2)21-18-9-16(8-17-10-24-11-17)6-7-20(18)25-22(21)19-12-26(5)23(27)15(4)14(19)3/h6-7,9,12-13,17,24-25H,8,10-11H2,1-5H3
InChIKeyIBWZUUUPFSDXKE-UHFFFAOYSA-N
XLogP4.04
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one with MolForge

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Related Compounds

3-[3-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]methyl]azetidin-1-yl]propane-1-sulfinate
CID 155142335
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655
N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide
CID 138689030
1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686638
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
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-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
1-ethyl-3,4-dimethyl-5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464632
6-[5-(azetidin-3-yl)-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154639610
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1-ethyl-3,4-dimethylpyridin-2-one
CID 137464389
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 137464288
2-[4-[2-(5-chloro-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropanamide
CID 137464504

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one?
The IUPAC name of 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one (CID 154639401) is 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one.
What is the SMILES notation for 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one?
The canonical SMILES for 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one is Cc1c(-c2[nH]c3ccc(CC4CNC4)cc3c2C(C)C)cn(C)c(=O)c1C.
What is the InChIKey of 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one?
The InChIKey is IBWZUUUPFSDXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-13(2)21-18-9-16(8-17-10-24-11-17)6-7-20(18)25-22(21)19-12-26(5)23(27)15(4)14(19)3/h6-7,9,12-13,17,24-25H,8,10-11H2,1-5H3.
What are the key properties of 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one?
5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one has a molecular weight of 363.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one is sourced from PubChem (CID 154639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).