N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide

C34H37F8N5O4 — CID 123542883

IUPACN-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3(C)CCCO3)ccc2C(F)(F)F)nc2cc(C(=O)C3CC3C3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C34H37F8N5O4/c1-32(10-3-11-51-32)30(49)43-15-17-4-9-23(34(40,41)42)24(12-17)44-31-45-25-14-22(29(50-16-26(35)36)46-28(25)47(31)2)27(48)21-13-20(21)18-5-7-19(8-6-18)33(37,38)39/h4,9,12,14,18-21,26H,3,5-8,10-11,13,15-16H2,1-2H3,(H,43,49)(H,44,45)
InChIKeyJQBCFIJQTKNZSJ-UHFFFAOYSA-N
MW731.68 g/mol
LogP7.75
Rot. Bonds11

About N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide

N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide (PubChem CID 123542883) has the molecular formula C34H37F8N5O4 and a molecular weight of 731.68 g/mol. Its IUPAC name is N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide
PubChem CID123542883
Molecular FormulaC34H37F8N5O4
Molecular Weight731.68 g/mol
Exact Mass731.27
IUPAC NameN-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3(C)CCCO3)ccc2C(F)(F)F)nc2cc(C(=O)C3CC3C3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C34H37F8N5O4/c1-32(10-3-11-51-32)30(49)43-15-17-4-9-23(34(40,41)42)24(12-17)44-31-45-25-14-22(29(50-16-26(35)36)46-28(25)47(31)2)27(48)21-13-20(21)18-5-7-19(8-6-18)33(37,38)39/h4,9,12,14,18-21,26H,3,5-8,10-11,13,15-16H2,1-2H3,(H,43,49)(H,44,45)
InChIKeyJQBCFIJQTKNZSJ-UHFFFAOYSA-N
XLogP7.75
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.68
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide with MolForge

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Related Compounds

N-[[3-[[5-(2,2-difluoroethoxy)-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide
CID 123230654
2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864198
2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864223
5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864243
2-[5-[[(2-cyclopropylacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88864249
N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[4-[4-(trifluoromethyl)cyclohexyl]butyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
CID 123941872
2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836296
2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 86669297
5-(2,2-difluoroethoxy)-2-[5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-2-(trifluoromethyl)anilino]-3-methyl-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836101
6-(2,2-difluoroethoxy)-2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-(trifluoromethyl)anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 46909028
5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 162248664
5-(2,2-difluoroethoxy)-2-[[5-[[[(2S)-2-hydroxypropanoyl]amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 148657124

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide (CID 123542883) is N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide is Cn1c(Nc2cc(CNC(=O)C3(C)CCCO3)ccc2C(F)(F)F)nc2cc(C(=O)C3CC3C3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21.
What is the InChIKey of N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide?
The InChIKey is JQBCFIJQTKNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F8N5O4/c1-32(10-3-11-51-32)30(49)43-15-17-4-9-23(34(40,41)42)24(12-17)44-31-45-25-14-22(29(50-16-26(35)36)46-28(25)47(31)2)27(48)21-13-20(21)18-5-7-19(8-6-18)33(37,38)39/h4,9,12,14,18-21,26H,3,5-8,10-11,13,15-16H2,1-2H3,(H,43,49)(H,44,45).
What are the key properties of N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide?
N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide has a molecular weight of 731.68 g/mol, XLogP of 7.75, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[5-(2,2-difluoroethoxy)-3-methyl-6-[2-[4-(trifluoromethyl)cyclohexyl]cyclopropanecarbonyl]imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 123542883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).