[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone

C22H17ClN4O — CID 46277418

IUPAC[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nc2cccnc2n1-c1cc(C(=O)N2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C22H17ClN4O/c1-14-25-18-6-4-11-24-21(18)27(14)20-13-16(8-9-17(20)23)22(28)26-12-10-15-5-2-3-7-19(15)26/h2-9,11,13H,10,12H2,1H3
InChIKeyJERDKITWWWAAKB-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.59
Rot. Bonds2

About [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone

[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 46277418) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID46277418
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nc2cccnc2n1-c1cc(C(=O)N2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C22H17ClN4O/c1-14-25-18-6-4-11-24-21(18)27(14)20-13-16(8-9-17(20)23)22(28)26-12-10-15-5-2-3-7-19(15)26/h2-9,11,13H,10,12H2,1H3
InChIKeyJERDKITWWWAAKB-UHFFFAOYSA-N
XLogP4.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277432
[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 46277321
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46277437
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92886823
N-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057097
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 50758284
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887875

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 46277418) is [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone is Cc1nc2cccnc2n1-c1cc(C(=O)N2CCc3ccccc32)ccc1Cl.
What is the InChIKey of [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is JERDKITWWWAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-14-25-18-6-4-11-24-21(18)27(14)20-13-16(8-9-17(20)23)22(28)26-12-10-15-5-2-3-7-19(15)26/h2-9,11,13H,10,12H2,1H3.
What are the key properties of [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 388.86 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 46277418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).