2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline

C27H25ClFN5 — CID 123206899

IUPAC2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline
SMILESCN1CCC(C2Nc3cnccc3N2c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1
InChIInChI=1S/C27H25ClFN5/c1-33-12-9-17(10-13-33)27-32-24-16-30-11-8-25(24)34(27)26-15-23(20-14-18(28)6-7-21(20)29)31-22-5-3-2-4-19(22)26/h2-8,11,14-17,27,32H,9-10,12-13H2,1H3
InChIKeyMLZGXCPITFRSLI-UHFFFAOYSA-N
MW473.98 g/mol
LogP6.32
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline

2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline (PubChem CID 123206899) has the molecular formula C27H25ClFN5 and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline
PubChem CID123206899
Molecular FormulaC27H25ClFN5
Molecular Weight473.98 g/mol
Exact Mass473.18
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline
SMILESCN1CCC(C2Nc3cnccc3N2c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1
InChIInChI=1S/C27H25ClFN5/c1-33-12-9-17(10-13-33)27-32-24-16-30-11-8-25(24)34(27)26-15-23(20-14-18(28)6-7-21(20)29)31-22-5-3-2-4-19(22)26/h2-8,11,14-17,27,32H,9-10,12-13H2,1H3
InChIKeyMLZGXCPITFRSLI-UHFFFAOYSA-N
XLogP6.32
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-279700
CID 9844320
N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
5-Chloro-1-(4-fluoro-phenyl)-3-(4-methyl-piperazin-1-yl)-1H-indole
CID 15006415
N-{(1s)-1-[8-Chloro-2-(2-Methylpyridin-3-Yl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 25071294
8-[4-[4-(5-chloro-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962581
N-(2-chloro-6-methylphenyl)-12-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,4,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-7-amine
CID 11316158
N-(2-chloro-6-methylphenyl)-11-piperazin-1-yl-2,4,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-7-amine
CID 11349915
N-(2-chloro-6-methylphenyl)-12-[(3R)-3-methylpiperazin-1-yl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11384258
1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006416
7-chloro-N-[3-[[[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]methyl]-4-fluorophenyl]quinolin-4-amine
CID 71737391
1-[(3-Chlorophenyl)methyl]-4-piperazin-1-ylindole
CID 90109808
7-chloro-N-(4-fluoro-3-(((6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl)amino)methyl)phenyl)quinolin-4-amine
CID 117827326

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline (CID 123206899) is 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline is CN1CCC(C2Nc3cnccc3N2c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline?
The InChIKey is MLZGXCPITFRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5/c1-33-12-9-17(10-13-33)27-32-24-16-30-11-8-25(24)34(27)26-15-23(20-14-18(28)6-7-21(20)29)31-22-5-3-2-4-19(22)26/h2-8,11,14-17,27,32H,9-10,12-13H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline?
2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline has a molecular weight of 473.98 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-c]pyridin-1-yl]quinoline is sourced from PubChem (CID 123206899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).