8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine

C34H31F2N7O — CID 164534522

About 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine

8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 164534522) has the molecular formula C34H31F2N7O and a molecular weight of 591.67 g/mol. Its IUPAC name is 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 164534522
• Molecular Formula: C34H31F2N7O
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.26
• IUPAC Name: 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine
• SMILES: CN(Cc1c[nH]c2ncccc12)c1nc(OCC23CCCN2CCC3)nc2c(F)c(-c3cccc4cccc(F)c34)ncc12
• InChI: InChI=1S/C34H31F2N7O/c1-42(19-22-17-39-31-23(22)10-4-14-37-31)32-25-18-38-29(24-9-2-7-21-8-3-11-26(35)27(21)24)28(36)30(25)40-33(41-32)44-20-34-12-5-15-43(34)16-6-13-34/h2-4,7-11,14,17-18H,5-6,12-13,15-16,19-20H2,1H3,(H,37,39)
• InChIKey: AMSCRJRRYJYYHR-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 83.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine (CID 164534522) is 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine is CN(Cc1c[nH]c2ncccc12)c1nc(OCC23CCCN2CCC3)nc2c(F)c(-c3cccc4cccc(F)c34)ncc12.

What is the InChIKey of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is AMSCRJRRYJYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N7O/c1-42(19-22-17-39-31-23(22)10-4-14-37-31)32-25-18-38-29(24-9-2-7-21-8-3-11-26(35)27(21)24)28(36)30(25)40-33(41-32)44-20-34-12-5-15-43(34)16-6-13-34/h2-4,7-11,14,17-18H,5-6,12-13,15-16,19-20H2,1H3,(H,37,39).

What are the key properties of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine?

8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 591.67 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164534522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).