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

C30H30F10N6O3 — CID 88565885

IUPAC2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3CC(F)(F)C3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C30H30F10N6O3/c1-46-23-21(9-18(26(45-23)49-13-22(31)32)25(48)42-17-5-3-16(4-6-17)29(35,36)37)44-27(46)43-20-8-14(2-7-19(20)30(38,39)40)12-41-24(47)15-10-28(33,34)11-15/h2,7-9,15-17,22H,3-6,10-13H2,1H3,(H,41,47)(H,42,48)(H,43,44)
InChIKeyOJKMTMZXWLKRFY-UHFFFAOYSA-N
MW712.59 g/mol
LogP6.89
Rot. Bonds10

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

2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88565885) has the molecular formula C30H30F10N6O3 and a molecular weight of 712.59 g/mol. Its IUPAC name is 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID88565885
Molecular FormulaC30H30F10N6O3
Molecular Weight712.59 g/mol
Exact Mass712.22
IUPAC Name2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2cc(CNC(=O)C3CC(F)(F)C3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
InChIInChI=1S/C30H30F10N6O3/c1-46-23-21(9-18(26(45-23)49-13-22(31)32)25(48)42-17-5-3-16(4-6-17)29(35,36)37)44-27(46)43-20-8-14(2-7-19(20)30(38,39)40)12-41-24(47)15-10-28(33,34)11-15/h2,7-9,15-17,22H,3-6,10-13H2,1H3,(H,41,47)(H,42,48)(H,43,44)
InChIKeyOJKMTMZXWLKRFY-UHFFFAOYSA-N
XLogP6.89
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.59
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 88565885) is 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2cc(CNC(=O)C3CC(F)(F)C3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21.
What is the InChIKey of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OJKMTMZXWLKRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F10N6O3/c1-46-23-21(9-18(26(45-23)49-13-22(31)32)25(48)42-17-5-3-16(4-6-17)29(35,36)37)44-27(46)43-20-8-14(2-7-19(20)30(38,39)40)12-41-24(47)15-10-28(33,34)11-15/h2,7-9,15-17,22H,3-6,10-13H2,1H3,(H,41,47)(H,42,48)(H,43,44).
What are the key properties of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 712.59 g/mol, XLogP of 6.89, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88565885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).