3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C51H46F6N10O6S2 — CID 161265638

IUPAC3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1.CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1
InChIInChI=1S/C26H24F3N5O3S.C25H22F3N5O3S/c1-2-38(36,37)21-10-7-19(30-15-21)14-32-25(35)17-12-22-24(31-13-17)34(20-8-9-20)23(33-22)11-16-3-5-18(6-4-16)26(27,28)29;1-37(35,36)20-9-6-18(29-14-20)13-31-24(34)16-11-21-23(30-12-16)33(19-7-8-19)22(32-21)10-15-2-4-17(5-3-15)25(26,27)28/h3-7,10,12-13,15,20H,2,8-9,11,14H2,1H3,(H,32,35);2-6,9,11-12,14,19H,7-8,10,13H2,1H3,(H,31,34)
InChIKeyVDDIZUQCIUGCAH-UHFFFAOYSA-N
MW1073.11 g/mol
LogP8.60
Rot. Bonds15

About 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 161265638) has the molecular formula C51H46F6N10O6S2 and a molecular weight of 1073.11 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID161265638
Molecular FormulaC51H46F6N10O6S2
Molecular Weight1073.11 g/mol
Exact Mass1072.29
IUPAC Name3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1.CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1
InChIInChI=1S/C26H24F3N5O3S.C25H22F3N5O3S/c1-2-38(36,37)21-10-7-19(30-15-21)14-32-25(35)17-12-22-24(31-13-17)34(20-8-9-20)23(33-22)11-16-3-5-18(6-4-16)26(27,28)29;1-37(35,36)20-9-6-18(29-14-20)13-31-24(34)16-11-21-23(30-12-16)33(19-7-8-19)22(32-21)10-15-2-4-17(5-3-15)25(26,27)28/h3-7,10,12-13,15,20H,2,8-9,11,14H2,1H3,(H,32,35);2-6,9,11-12,14,19H,7-8,10,13H2,1H3,(H,31,34)
InChIKeyVDDIZUQCIUGCAH-UHFFFAOYSA-N
XLogP8.60
TPSA213.68 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.11
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[[5-[5-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726744
N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793505
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160934
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160948
N-[[5-[6-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118193541
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126521906
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126556058
3-cyclopropyl-N-(4-(methylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126556059
1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135288733
[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 78324797
[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-yl]-piperidin-1-ylmethanone
CID 78324798
N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012621

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 161265638) is 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1.CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1.
What is the InChIKey of 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is VDDIZUQCIUGCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3S.C25H22F3N5O3S/c1-2-38(36,37)21-10-7-19(30-15-21)14-32-25(35)17-12-22-24(31-13-17)34(20-8-9-20)23(33-22)11-16-3-5-18(6-4-16)26(27,28)29;1-37(35,36)20-9-6-18(29-14-20)13-31-24(34)16-11-21-23(30-12-16)33(19-7-8-19)22(32-21)10-15-2-4-17(5-3-15)25(26,27)28/h3-7,10,12-13,15,20H,2,8-9,11,14H2,1H3,(H,32,35);2-6,9,11-12,14,19H,7-8,10,13H2,1H3,(H,31,34).
What are the key properties of 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 1073.11 g/mol, XLogP of 8.60, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 161265638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).