N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide

C30H24F8N4O3 — CID 156872835

About N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide

N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide (PubChem CID 156872835) has the molecular formula C30H24F8N4O3 and a molecular weight of 640.53 g/mol. Its IUPAC name is N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide
• PubChem CID: 156872835
• Molecular Formula: C30H24F8N4O3
• Molecular Weight: 640.53 g/mol
• Exact Mass: 640.17
• IUPAC Name: N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide
• SMILES: COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)nnc12
• InChI: InChI=1S/C30H24F8N4O3/c1-15-7-17-8-18(9-23(44-2)24(17)42-41-15)27(43)39-11-21(30(36,37)38)22-10-20-26(45-14-28(20,12-31)13-32)25(40-22)16-3-5-19(6-4-16)29(33,34)35/h3-10,21H,11-14H2,1-2H3,(H,39,43)
• InChIKey: FKBVHUUTBBWNPO-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.53
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

The IUPAC name of N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide (CID 156872835) is N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide.

What is the SMILES notation for N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

The canonical SMILES for N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)nnc12.

What is the InChIKey of N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

The InChIKey is FKBVHUUTBBWNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F8N4O3/c1-15-7-17-8-18(9-23(44-2)24(17)42-41-15)27(43)39-11-21(30(36,37)38)22-10-20-26(45-14-28(20,12-31)13-32)25(40-22)16-3-5-19(6-4-16)29(33,34)35/h3-10,21H,11-14H2,1-2H3,(H,39,43).

What are the key properties of N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide has a molecular weight of 640.53 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide is sourced from PubChem (CID 156872835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).