2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C34H38Cl2F3N7O2 — CID 149249062

IUPAC2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(c2nc3c(cc2C(=O)NCc2ncccc2C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1
InChIInChI=1S/C34H38Cl2F3N7O2/c1-19-10-13-46(14-11-19)29-22(31(47)41-18-26-23(34(37,38)39)7-6-12-40-26)15-25-30(44-29)45(5)27(43-25)16-21-24(35)9-8-20(28(21)36)17-42-32(48)33(2,3)4/h6-9,12,15,19H,10-11,13-14,16-18H2,1-5H3,(H,41,47)(H,42,48)
InChIKeyXNRKPFXTRPTSTR-UHFFFAOYSA-N
MW704.63 g/mol
LogP7.11
Rot. Bonds8

About 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 149249062) has the molecular formula C34H38Cl2F3N7O2 and a molecular weight of 704.63 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID149249062
Molecular FormulaC34H38Cl2F3N7O2
Molecular Weight704.63 g/mol
Exact Mass703.24
IUPAC Name2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(c2nc3c(cc2C(=O)NCc2ncccc2C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1
InChIInChI=1S/C34H38Cl2F3N7O2/c1-19-10-13-46(14-11-19)29-22(31(47)41-18-26-23(34(37,38)39)7-6-12-40-26)15-25-30(44-29)45(5)27(43-25)16-21-24(35)9-8-20(28(21)36)17-42-32(48)33(2,3)4/h6-9,12,15,19H,10-11,13-14,16-18H2,1-5H3,(H,41,47)(H,42,48)
InChIKeyXNRKPFXTRPTSTR-UHFFFAOYSA-N
XLogP7.11
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.63
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

7-chloro-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 68234693
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
CID 155739023
N-[3-(6-chloro-3-pyridinyl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766724
6-chloro-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 68234878
4-chloro-N-[3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 73331464
N-[1-[8-(2-chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]benzamide
CID 135156203
N-[1-[8-(2-chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]pentanamide
CID 135156229
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901603
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902942
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90282975
[2-Chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 56669083

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 149249062) is 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is CC1CCN(c2nc3c(cc2C(=O)NCc2ncccc2C(F)(F)F)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1.
What is the InChIKey of 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XNRKPFXTRPTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2F3N7O2/c1-19-10-13-46(14-11-19)29-22(31(47)41-18-26-23(34(37,38)39)7-6-12-40-26)15-25-30(44-29)45(5)27(43-25)16-21-24(35)9-8-20(28(21)36)17-42-32(48)33(2,3)4/h6-9,12,15,19H,10-11,13-14,16-18H2,1-5H3,(H,41,47)(H,42,48).
What are the key properties of 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 704.63 g/mol, XLogP of 7.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 149249062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).