7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

C34H31BrN8 — CID 135174064

About 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 135174064) has the molecular formula C34H31BrN8 and a molecular weight of 631.58 g/mol. Its IUPAC name is 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 135174064
• Molecular Formula: C34H31BrN8
• Molecular Weight: 631.58 g/mol
• Exact Mass: 630.19
• IUPAC Name: 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
• SMILES: Cc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(Nc2ncnc3cc(Br)cnc23)c1C
• InChI: InChI=1S/C34H31BrN8/c1-21-26(27-8-6-10-29(22(27)2)42-34-32-30(39-20-40-34)16-25(35)18-38-32)7-5-9-28(21)41-33-31-24(11-12-36-33)15-23(17-37-31)19-43-13-3-4-14-43/h5-12,15-18,20H,3-4,13-14,19H2,1-2H3,(H,36,41)(H,39,40,42)
• InChIKey: FWLIXCZHLHYYTH-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 91.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.58
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 135174064) is 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(Nc2ncnc3cc(Br)cnc23)c1C.

What is the InChIKey of 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is FWLIXCZHLHYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31BrN8/c1-21-26(27-8-6-10-29(22(27)2)42-34-32-30(39-20-40-34)16-25(35)18-38-32)7-5-9-28(21)41-33-31-24(11-12-36-33)15-23(17-37-31)19-43-13-3-4-14-43/h5-12,15-18,20H,3-4,13-14,19H2,1-2H3,(H,36,41)(H,39,40,42).

What are the key properties of 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?

7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 631.58 g/mol, XLogP of 8.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 135174064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).