6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C21H23N5O — CID 142594226

IUPAC6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCCc1c(-c2cnc3[nH]c(=O)[nH]c3c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H23N5O/c1-2-15-16-9-13(12-5-7-22-8-6-12)3-4-17(16)24-19(15)14-10-18-20(23-11-14)26-21(27)25-18/h3-4,9-12,22,24H,2,5-8H2,1H3,(H2,23,25,26,27)
InChIKeyPCLNYLXQJCCHPR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.43
Rot. Bonds3

About 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 142594226) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID142594226
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCCc1c(-c2cnc3[nH]c(=O)[nH]c3c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H23N5O/c1-2-15-16-9-13(12-5-7-22-8-6-12)3-4-17(16)24-19(15)14-10-18-20(23-11-14)26-21(27)25-18/h3-4,9-12,22,24H,2,5-8H2,1H3,(H2,23,25,26,27)
InChIKeyPCLNYLXQJCCHPR-UHFFFAOYSA-N
XLogP3.43
TPSA89.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)pyridin-3-ol
CID 134329906
2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
CID 142594360
3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine
CID 142594610
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
CID 134329795
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole;hydrochloride
CID 134231013
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
CID 134329293
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594157

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 142594226) is 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CCc1c(-c2cnc3[nH]c(=O)[nH]c3c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is PCLNYLXQJCCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-15-16-9-13(12-5-7-22-8-6-12)3-4-17(16)24-19(15)14-10-18-20(23-11-14)26-21(27)25-18/h3-4,9-12,22,24H,2,5-8H2,1H3,(H2,23,25,26,27).
What are the key properties of 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142594226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).