6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C32H35ClF6N6O2 — CID 176724850

About 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 176724850) has the molecular formula C32H35ClF6N6O2 and a molecular weight of 685.11 g/mol. Its IUPAC name is 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 176724850
• Molecular Formula: C32H35ClF6N6O2
• Molecular Weight: 685.11 g/mol
• Exact Mass: 684.24
• IUPAC Name: 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
• SMILES: Cc1cc(N)nc(-c2c(Cl)c3c4c(nc(OCC56CCCC5N(C)CCC6)nc4c2F)N(C)C(C2CC2(F)F)CCO3)c1C(F)(F)F
• InChI: InChI=1S/C32H35ClF6N6O2/c1-15-12-19(40)41-25(22(15)32(37,38)39)20-23(33)27-21-26(24(20)34)42-29(47-14-30-8-4-6-18(30)44(2)10-5-9-30)43-28(21)45(3)17(7-11-46-27)16-13-31(16,35)36/h12,16-18H,4-11,13-14H2,1-3H3,(H2,40,41)
• InChIKey: PTIOUERUFIGWIH-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 89.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.11
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 176724850) is 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is Cc1cc(N)nc(-c2c(Cl)c3c4c(nc(OCC56CCCC5N(C)CCC6)nc4c2F)N(C)C(C2CC2(F)F)CCO3)c1C(F)(F)F.

What is the InChIKey of 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?

The InChIKey is PTIOUERUFIGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClF6N6O2/c1-15-12-19(40)41-25(22(15)32(37,38)39)20-23(33)27-21-26(24(20)34)42-29(47-14-30-8-4-6-18(30)44(2)10-5-9-30)43-28(21)45(3)17(7-11-46-27)16-13-31(16,35)36/h12,16-18H,4-11,13-14H2,1-3H3,(H2,40,41).

What are the key properties of 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?

6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 685.11 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-chloro-13-(2,2-difluorocyclopropyl)-6-fluoro-14-methyl-3-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 176724850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).