1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C96H92Cl2F2N22O5S — CID 159801517

IUPAC1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CC(=O)N1CCCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CS(=O)(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C25H24ClN5O.C24H24ClN5O2S.C24H23FN6O.C23H21FN6O/c1-17(32)14-18-9-12-30(13-10-18)24-7-2-19(15-28-24)25-29-22-8-11-27-16-23(22)31(25)21-5-3-20(26)4-6-21;1-33(31,32)16-17-9-12-29(13-10-17)23-7-2-18(14-27-23)24-28-21-8-11-26-15-22(21)30(24)20-5-3-19(25)4-6-20;1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20;1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19/h2-8,11,15-16,18H,9-10,12-14H2,1H3;2-8,11,14-15,17H,9-10,12-13,16H2,1H3;3-10,15-16H,2,11-14H2,1H3;2-9,14-15H,10-13H2,1H3
InChIKeyNJVVGDTXPBZNKH-UHFFFAOYSA-N
MW1774.91 g/mol
LogP16.70
Rot. Bonds16

About 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 159801517) has the molecular formula C96H92Cl2F2N22O5S and a molecular weight of 1774.91 g/mol. Its IUPAC name is 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID159801517
Molecular FormulaC96H92Cl2F2N22O5S
Molecular Weight1774.91 g/mol
Exact Mass1772.67
IUPAC Name1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CC(=O)N1CCCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CS(=O)(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C25H24ClN5O.C24H24ClN5O2S.C24H23FN6O.C23H21FN6O/c1-17(32)14-18-9-12-30(13-10-18)24-7-2-19(15-28-24)25-29-22-8-11-27-16-23(22)31(25)21-5-3-20(26)4-6-21;1-33(31,32)16-17-9-12-29(13-10-17)23-7-2-18(14-27-23)24-28-21-8-11-26-15-22(21)30(24)20-5-3-19(25)4-6-20;1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20;1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19/h2-8,11,15-16,18H,9-10,12-14H2,1H3;2-8,11,14-15,17H,9-10,12-13,16H2,1H3;3-10,15-16H,2,11-14H2,1H3;2-9,14-15H,10-13H2,1H3
InChIKeyNJVVGDTXPBZNKH-UHFFFAOYSA-N
XLogP16.70
TPSA279.19 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001774.91
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[1-[5-[3-(4-Chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
CID 158507772
1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide;(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide
CID 158928703
4-[5-[3-(4-Chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
CID 160819029

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 159801517) is 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CC(=O)N1CCCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CS(=O)(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is NJVVGDTXPBZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O.C24H24ClN5O2S.C24H23FN6O.C23H21FN6O/c1-17(32)14-18-9-12-30(13-10-18)24-7-2-19(15-28-24)25-29-22-8-11-27-16-23(22)31(25)21-5-3-20(26)4-6-21;1-33(31,32)16-17-9-12-29(13-10-17)23-7-2-18(14-27-23)24-28-21-8-11-26-15-22(21)30(24)20-5-3-19(25)4-6-20;1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20;1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19/h2-8,11,15-16,18H,9-10,12-14H2,1H3;2-8,11,14-15,17H,9-10,12-13,16H2,1H3;3-10,15-16H,2,11-14H2,1H3;2-9,14-15H,10-13H2,1H3.
What are the key properties of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 1774.91 g/mol, XLogP of 16.70, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159801517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).