4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine

C29H24N8OS — CID 90113926

About 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine (PubChem CID 90113926) has the molecular formula C29H24N8OS and a molecular weight of 532.63 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine.

Molecular Properties

• Compound Name: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine
• PubChem CID: 90113926
• Molecular Formula: C29H24N8OS
• Molecular Weight: 532.63 g/mol
• Exact Mass: 532.18
• IUPAC Name: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine
• SMILES: COc1cnc2c(Sc3ccc(Nc4nnc(N5CCn6ccnc6C5)c5ccccc45)cc3)ccnc2c1
• InChI: InChI=1S/C29H24N8OS/c1-38-20-16-24-27(32-17-20)25(10-11-30-24)39-21-8-6-19(7-9-21)33-28-22-4-2-3-5-23(22)29(35-34-28)37-15-14-36-13-12-31-26(36)18-37/h2-13,16-17H,14-15,18H2,1H3,(H,33,34)
• InChIKey: LBPHWNILUBCFSO-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.63
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?

The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine (CID 90113926) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine.

What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?

The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine is COc1cnc2c(Sc3ccc(Nc4nnc(N5CCn6ccnc6C5)c5ccccc45)cc3)ccnc2c1.

What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?

The InChIKey is LBPHWNILUBCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8OS/c1-38-20-16-24-27(32-17-20)25(10-11-30-24)39-21-8-6-19(7-9-21)33-28-22-4-2-3-5-23(22)29(35-34-28)37-15-14-36-13-12-31-26(36)18-37/h2-13,16-17H,14-15,18H2,1H3,(H,33,34).

What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine has a molecular weight of 532.63 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine is sourced from PubChem (CID 90113926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).