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

C44H41ClFN13O3S — CID 160819029

IUPAC4-[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
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.NC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C22H20ClN7O.C22H21FN6O2S/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31;1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h1-8,13-14H,9-12H2,(H2,24,31);2-9,14-15H,10-13H2,1H3
InChIKeySFHFPHRRCRKGSP-UHFFFAOYSA-N
MW886.42 g/mol
LogP6.04
Rot. Bonds7

About 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

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 (PubChem CID 160819029) has the molecular formula C44H41ClFN13O3S and a molecular weight of 886.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160819029
Molecular FormulaC44H41ClFN13O3S
Molecular Weight886.42 g/mol
Exact Mass885.28
IUPAC Name4-[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
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.NC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C22H20ClN7O.C22H21FN6O2S/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31;1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h1-8,13-14H,9-12H2,(H2,24,31);2-9,14-15H,10-13H2,1H3
InChIKeySFHFPHRRCRKGSP-UHFFFAOYSA-N
XLogP6.04
TPSA177.39 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.42
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 135156281
1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]urea
CID 135156322
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 145984485
1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)-3-pyridinyl]urea
CID 155545291
1-{5-[3-(4-Fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridin-2-yl}-4-methanesulfonylpiperazine
CID 86267968
N-[5-[8-(2-chlorophenyl)-6-[4-[(3,4-difluorophenyl)sulfonylamino]piperidin-1-yl]purin-9-yl]-2-pyridinyl]acetamide
CID 155511918
N-[3-[[[2-(5-chloro-1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 172464383
N-[3-[[2-(6-chloro-1H-benzimidazol-2-yl)-6-methylpyrrolo[2,3-d]pyrimidin-7-yl]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 172469913
N-(1-{5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridin-2-yl}piperidin-4-yl)methanesulfonamide
CID 86267967
4-{5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridin-2-yl}piperazine-1-carboxamide dihydrochloride
CID 86267969
(1-{5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridin-2-yl}piperidin-4-yl)urea; bis(trifluoroacetic acid)
CID 86267970
N-{5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridin-2-yl}methanesulfonamide
CID 86268994

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.NC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is SFHFPHRRCRKGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O.C22H21FN6O2S/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31;1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h1-8,13-14H,9-12H2,(H2,24,31);2-9,14-15H,10-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 886.42 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160819029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).