6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

C29H29N5O2 — CID 154807071

IUPAC6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCc1cccc2c(C3CCN(C(=O)c4cccc(-c5cnc6[nH]c(=O)n(C)c6c5)c4)CC3)c[nH]c12
InChIInChI=1S/C29H29N5O2/c1-3-18-6-5-9-23-24(17-30-26(18)23)19-10-12-34(13-11-19)28(35)21-8-4-7-20(14-21)22-15-25-27(31-16-22)32-29(36)33(25)2/h4-9,14-17,19,30H,3,10-13H2,1-2H3,(H,31,32,36)
InChIKeyTZBAQNAWEULIMI-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.99
Rot. Bonds4

About 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 154807071) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID154807071
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCc1cccc2c(C3CCN(C(=O)c4cccc(-c5cnc6[nH]c(=O)n(C)c6c5)c4)CC3)c[nH]c12
InChIInChI=1S/C29H29N5O2/c1-3-18-6-5-9-23-24(17-30-26(18)23)19-10-12-34(13-11-19)28(35)21-8-4-7-20(14-21)22-15-25-27(31-16-22)32-29(36)33(25)2/h4-9,14-17,19,30H,3,10-13H2,1-2H3,(H,31,32,36)
InChIKeyTZBAQNAWEULIMI-UHFFFAOYSA-N
XLogP4.99
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 146127382
6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154839958
N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56924673
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633706
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 95136848
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
6-[3-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carbonyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 146135394
4-[5-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
CID 154858783
N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110476889
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (CID 154807071) is 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is CCc1cccc2c(C3CCN(C(=O)c4cccc(-c5cnc6[nH]c(=O)n(C)c6c5)c4)CC3)c[nH]c12.
What is the InChIKey of 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is TZBAQNAWEULIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-3-18-6-5-9-23-24(17-30-26(18)23)19-10-12-34(13-11-19)28(35)21-8-4-7-20(14-21)22-15-25-27(31-16-22)32-29(36)33(25)2/h4-9,14-17,19,30H,3,10-13H2,1-2H3,(H,31,32,36).
What are the key properties of 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 479.58 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 154807071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).