2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

C21H20Cl2F3N5O — CID 45137837

IUPAC2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)cnc21
InChIInChI=1S/C21H20Cl2F3N5O/c1-31-18-16(29-20(31)30-17-14(22)3-2-4-15(17)23)9-11(10-27-18)19(32)28-13-7-5-12(6-8-13)21(24,25)26/h2-4,9-10,12-13H,5-8H2,1H3,(H,28,32)(H,29,30)
InChIKeyOFSGNEARPCBEJD-UHFFFAOYSA-N
MW486.33 g/mol
LogP5.87
Rot. Bonds4

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

2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 45137837) has the molecular formula C21H20Cl2F3N5O and a molecular weight of 486.33 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID45137837
Molecular FormulaC21H20Cl2F3N5O
Molecular Weight486.33 g/mol
Exact Mass485.10
IUPAC Name2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)cnc21
InChIInChI=1S/C21H20Cl2F3N5O/c1-31-18-16(29-20(31)30-17-14(22)3-2-4-15(17)23)9-11(10-27-18)19(32)28-13-7-5-12(6-8-13)21(24,25)26/h2-4,9-10,12-13H,5-8H2,1H3,(H,28,32)(H,29,30)
InChIKeyOFSGNEARPCBEJD-UHFFFAOYSA-N
XLogP5.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 45137837) is 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)cnc21.
What is the InChIKey of 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OFSGNEARPCBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F3N5O/c1-31-18-16(29-20(31)30-17-14(22)3-2-4-15(17)23)9-11(10-27-18)19(32)28-13-7-5-12(6-8-13)21(24,25)26/h2-4,9-10,12-13H,5-8H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 486.33 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 45137837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).