2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C21H18Cl2F6N6O2 — CID 87422331

About 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 87422331) has the molecular formula C21H18Cl2F6N6O2 and a molecular weight of 571.31 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 87422331
• Molecular Formula: C21H18Cl2F6N6O2
• Molecular Weight: 571.31 g/mol
• Exact Mass: 570.08
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: O=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3c(Cl)cncc3Cl)nc2nc1OCC(F)(F)F
• InChI: InChI=1S/C21H18Cl2F6N6O2/c22-12-6-30-7-13(23)15(12)33-19-32-14-5-11(18(34-16(14)35-19)37-8-20(24,25)26)17(36)31-10-3-1-9(2-4-10)21(27,28)29/h5-7,9-10H,1-4,8H2,(H,31,36)(H2,30,32,33,34,35)
• InChIKey: NHAAZDDVJNWCAN-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.31
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 87422331) is 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3c(Cl)cncc3Cl)nc2nc1OCC(F)(F)F.

What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is NHAAZDDVJNWCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F6N6O2/c22-12-6-30-7-13(23)15(12)33-19-32-14-5-11(18(34-16(14)35-19)37-8-20(24,25)26)17(36)31-10-3-1-9(2-4-10)21(27,28)29/h5-7,9-10H,1-4,8H2,(H,31,36)(H2,30,32,33,34,35).

What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 571.31 g/mol, XLogP of 6.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 87422331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).