1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one

C24H23N3O2 — CID 46869326

IUPAC1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3
InChIKeyVENQEUPIUTUQBC-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.93
Rot. Bonds5

About 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one

1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 46869326) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID46869326
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3
InChIKeyVENQEUPIUTUQBC-UHFFFAOYSA-N
XLogP3.93
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

GR 46611
CID 6160690
1-(3-Methyl-3,12-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
CID 49836016
4-(Benzyloxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin-2(1H)-one
CID 49869488
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50903067
1-(benzyloxy)-3-(3-(pyridin-4-yl)-1H-indol-6-yl)urea
CID 11674857
1-(2-Acetyl-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(benzyloxy)pyridin-2(1H)-one
CID 44194482
4-(benzyloxy)-1-(2-(2-hydroxyethyl)-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194749
4-(benzyloxy)-1-(2,5-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194849
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-(trifluoromethyl)benzyloxy)pyridin-2(1H)-one
CID 44194853
4-(4-chlorobenzyloxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194954
4-(Benzyloxy)-1-(9-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-7-yl)pyridin-2(1h)-one
CID 50908737
4-(benzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2(1H)-one
CID 52941699

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one (CID 46869326) is 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.
What is the InChIKey of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is VENQEUPIUTUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3.
What are the key properties of 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one?
1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 46869326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).