2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C28H23Cl2F5N6O3 — CID 56836667

About 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 56836667) has the molecular formula C28H23Cl2F5N6O3 and a molecular weight of 657.43 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 56836667
• Molecular Formula: C28H23Cl2F5N6O3
• Molecular Weight: 657.43 g/mol
• Exact Mass: 656.11
• IUPAC Name: 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: O=C(CC1CC1)NCc1ccc(Cl)c(Nc2nc3nc(OCC(F)F)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3[nH]2)c1Cl
• InChI: InChI=1S/C28H23Cl2F5N6O3/c29-18-8-3-14(11-36-21(42)9-13-1-2-13)22(30)23(18)39-27-38-19-10-17(26(40-24(19)41-27)44-12-20(31)32)25(43)37-16-6-4-15(5-7-16)28(33,34)35/h3-8,10,13,20H,1-2,9,11-12H2,(H,36,42)(H,37,43)(H2,38,39,40,41)
• InChIKey: MTYMEABDWJVOLH-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 121.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.43
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 56836667) is 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(CC1CC1)NCc1ccc(Cl)c(Nc2nc3nc(OCC(F)F)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3[nH]2)c1Cl.

What is the InChIKey of 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is MTYMEABDWJVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2F5N6O3/c29-18-8-3-14(11-36-21(42)9-13-1-2-13)22(30)23(18)39-27-38-19-10-17(26(40-24(19)41-27)44-12-20(31)32)25(43)37-16-6-4-15(5-7-16)28(33,34)35/h3-8,10,13,20H,1-2,9,11-12H2,(H,36,42)(H,37,43)(H2,38,39,40,41).

What are the key properties of 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 657.43 g/mol, XLogP of 7.34, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 56836667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).