N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide

C30H30F11N5O3 — CID 123359576

About N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide

N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 123359576) has the molecular formula C30H30F11N5O3 and a molecular weight of 717.58 g/mol. Its IUPAC name is N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

• Compound Name: N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide
• PubChem CID: 123359576
• Molecular Formula: C30H30F11N5O3
• Molecular Weight: 717.58 g/mol
• Exact Mass: 717.22
• IUPAC Name: N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide
• SMILES: O=C(CC(F)(F)F)NCc1ccc(C(F)(F)F)c(Nc2nc3nc(OCC(F)F)c(C(=O)CCCC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1
• InChI: InChI=1S/C30H30F11N5O3/c31-23(32)14-49-26-18(22(47)3-1-2-15-4-7-17(8-5-15)29(36,37)38)11-21-25(45-26)46-27(44-21)43-20-10-16(6-9-19(20)30(39,40)41)13-42-24(48)12-28(33,34)35/h6,9-11,15,17,23H,1-5,7-8,12-14H2,(H,42,48)(H2,43,44,45,46)
• InChIKey: UUGLDXHNSUFSBL-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.58
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide?

The IUPAC name of N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide (CID 123359576) is N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide.

What is the SMILES notation for N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide?

The canonical SMILES for N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCc1ccc(C(F)(F)F)c(Nc2nc3nc(OCC(F)F)c(C(=O)CCCC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1.

What is the InChIKey of N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide?

The InChIKey is UUGLDXHNSUFSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F11N5O3/c31-23(32)14-49-26-18(22(47)3-1-2-15-4-7-17(8-5-15)29(36,37)38)11-21-25(45-26)46-27(44-21)43-20-10-16(6-9-19(20)30(39,40)41)13-42-24(48)12-28(33,34)35/h6,9-11,15,17,23H,1-5,7-8,12-14H2,(H,42,48)(H2,43,44,45,46).

What are the key properties of N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide?

N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 717.58 g/mol, XLogP of 8.65, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 123359576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).