N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine

C32H29F6N9O — CID 175069066

About N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine

N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine (PubChem CID 175069066) has the molecular formula C32H29F6N9O and a molecular weight of 669.63 g/mol. Its IUPAC name is N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

• Compound Name: N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine
• PubChem CID: 175069066
• Molecular Formula: C32H29F6N9O
• Molecular Weight: 669.63 g/mol
• Exact Mass: 669.24
• IUPAC Name: N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine
• SMILES: Fc1ccc(N(c2ccncc2C(F)(F)F)C2CCN(c3nc(C4CNCCO4)nc(-n4c(C(F)F)nc5ccccc54)n3)CC2)cc1
• InChI: InChI=1S/C32H29F6N9O/c33-19-5-7-20(8-6-19)46(24-9-12-39-17-22(24)32(36,37)38)21-10-14-45(15-11-21)30-42-28(26-18-40-13-16-48-26)43-31(44-30)47-25-4-2-1-3-23(25)41-29(47)27(34)35/h1-9,12,17,21,26-27,40H,10-11,13-16,18H2
• InChIKey: GNDJGPXOVBGXCR-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 97.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.63
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine?

The IUPAC name of N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine (CID 175069066) is N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine.

What is the SMILES notation for N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine?

The canonical SMILES for N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine is Fc1ccc(N(c2ccncc2C(F)(F)F)C2CCN(c3nc(C4CNCCO4)nc(-n4c(C(F)F)nc5ccccc54)n3)CC2)cc1.

What is the InChIKey of N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine?

The InChIKey is GNDJGPXOVBGXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F6N9O/c33-19-5-7-20(8-6-19)46(24-9-12-39-17-22(24)32(36,37)38)21-10-14-45(15-11-21)30-42-28(26-18-40-13-16-48-26)43-31(44-30)47-25-4-2-1-3-23(25)41-29(47)27(34)35/h1-9,12,17,21,26-27,40H,10-11,13-16,18H2.

What are the key properties of N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine?

N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine has a molecular weight of 669.63 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 175069066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).