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

C33H36Cl2F3N7O2 — CID 157400777

IUPAC2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(c2nc3c(cc2C(=O)Nc2cccc(C(F)(F)F)n2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1
InChIInChI=1S/C33H36Cl2F3N7O2/c1-18-11-13-45(14-12-18)28-21(30(46)42-25-8-6-7-24(41-25)33(36,37)38)15-23-29(43-28)44(5)26(40-23)16-20-22(34)10-9-19(27(20)35)17-39-31(47)32(2,3)4/h6-10,15,18H,11-14,16-17H2,1-5H3,(H,39,47)(H,41,42,46)
InChIKeyBNDBLVAPFQZKFK-UHFFFAOYSA-N
MW690.60 g/mol
LogP7.43
Rot. Bonds7

About 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 157400777) has the molecular formula C33H36Cl2F3N7O2 and a molecular weight of 690.60 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-[6-(trifluoromethyl)-2-pyridinyl]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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID157400777
Molecular FormulaC33H36Cl2F3N7O2
Molecular Weight690.60 g/mol
Exact Mass689.23
IUPAC Name2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(c2nc3c(cc2C(=O)Nc2cccc(C(F)(F)F)n2)nc(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1
InChIInChI=1S/C33H36Cl2F3N7O2/c1-18-11-13-45(14-12-18)28-21(30(46)42-25-8-6-7-24(41-25)33(36,37)38)15-23-29(43-28)44(5)26(40-23)16-20-22(34)10-9-19(27(20)35)17-39-31(47)32(2,3)4/h6-10,15,18H,11-14,16-17H2,1-5H3,(H,39,47)(H,41,42,46)
InChIKeyBNDBLVAPFQZKFK-UHFFFAOYSA-N
XLogP7.43
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.60
LogP ≤ 57.43
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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropanoyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)pyridin-2-yl]benzimidazole-5-carboxamide
CID 88539203
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)pyridin-2-yl]benzimidazole-5-carboxamide
CID 88539248
US10081629, Example 35
CID 91972009
US10081629, Example 37
CID 118466575
US10081629, Example 36
CID 118466598
N-[2-(acetylamino)ethyl]-2-(2-chlorophenyl)-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 70723835
2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 70764404
US10106501, Example DC
CID 124123495
2-(2-chlorophenyl)-6-[(4-fluoropiperidin-1-yl)carbonyl]-3-methyl-3H-imidazo[4,5-b]pyridine
CID 70772618
N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11656625
Tert-butyl 4-[[2-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 11664522
2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 45137837

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-[6-(trifluoromethyl)-2-pyridinyl]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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 157400777) is 2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]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-[6-(trifluoromethyl)-2-pyridinyl]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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide is CC1CCN(c2nc3c(cc2C(=O)Nc2cccc(C(F)(F)F)n2)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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BNDBLVAPFQZKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Cl2F3N7O2/c1-18-11-13-45(14-12-18)28-21(30(46)42-25-8-6-7-24(41-25)33(36,37)38)15-23-29(43-28)44(5)26(40-23)16-20-22(34)10-9-19(27(20)35)17-39-31(47)32(2,3)4/h6-10,15,18H,11-14,16-17H2,1-5H3,(H,39,47)(H,41,42,46).
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-[6-(trifluoromethyl)-2-pyridinyl]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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 690.60 g/mol, XLogP of 7.43, 7 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-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 157400777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).