5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide

C30H29F11N6O3 — CID 88565874

IUPAC5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C30H29F11N6O3/c1-47-22-20(11-17(24(46-22)50-13-21(31)32)23(48)43-16-5-3-15(4-6-16)28(33,34)35)45-26(47)44-19-10-14(2-7-18(19)29(36,37)38)12-42-25(49)27(8-9-27)30(39,40)41/h2,7,10-11,15-16,21H,3-6,8-9,12-13H2,1H3,(H,42,49)(H,43,48)(H,44,45)
InChIKeyXMQDFVASDSMNJL-UHFFFAOYSA-N
MW730.58 g/mol
LogP7.18
Rot. Bonds10

About 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide

5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88565874) has the molecular formula C30H29F11N6O3 and a molecular weight of 730.58 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID88565874
Molecular FormulaC30H29F11N6O3
Molecular Weight730.58 g/mol
Exact Mass730.21
IUPAC Name5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C30H29F11N6O3/c1-47-22-20(11-17(24(46-22)50-13-21(31)32)23(48)43-16-5-3-15(4-6-16)28(33,34)35)45-26(47)44-19-10-14(2-7-18(19)29(36,37)38)12-42-25(49)27(8-9-27)30(39,40)41/h2,7,10-11,15-16,21H,3-6,8-9,12-13H2,1H3,(H,42,49)(H,43,48)(H,44,45)
InChIKeyXMQDFVASDSMNJL-UHFFFAOYSA-N
XLogP7.18
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.58
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide (CID 88565874) is 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21.
What is the InChIKey of 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XMQDFVASDSMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F11N6O3/c1-47-22-20(11-17(24(46-22)50-13-21(31)32)23(48)43-16-5-3-15(4-6-16)28(33,34)35)45-26(47)44-19-10-14(2-7-18(19)29(36,37)38)12-42-25(49)27(8-9-27)30(39,40)41/h2,7,10-11,15-16,21H,3-6,8-9,12-13H2,1H3,(H,42,49)(H,43,48)(H,44,45).
What are the key properties of 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide?
5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 730.58 g/mol, XLogP of 7.18, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2-[2-(trifluoromethyl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88565874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).