7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

C34H31ClFN9 — CID 146662136

About 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146662136) has the molecular formula C34H31ClFN9 and a molecular weight of 620.14 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

• Compound Name: 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
• PubChem CID: 146662136
• Molecular Formula: C34H31ClFN9
• Molecular Weight: 620.14 g/mol
• Exact Mass: 619.24
• IUPAC Name: 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
• SMILES: Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)cc4C3)cc2n1
• InChI: InChI=1S/C34H31ClFN9/c35-24-6-7-29(36)27(16-24)34-28(20-38-40-34)30-8-9-31-32(39-30)17-25(19-37-31)44-14-15-45-26(22-44)18-33(41-45)43-12-10-42(11-13-43)21-23-4-2-1-3-5-23/h1-9,16-20H,10-15,21-22H2,(H,38,40)
• InChIKey: GBDMQLHQKWEBKK-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 82.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.14
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?

The IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (CID 146662136) is 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

What is the SMILES notation for 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?

The canonical SMILES for 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)cc4C3)cc2n1.

What is the InChIKey of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?

The InChIKey is GBDMQLHQKWEBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31ClFN9/c35-24-6-7-29(36)27(16-24)34-28(20-38-40-34)30-8-9-31-32(39-30)17-25(19-37-31)44-14-15-45-26(22-44)18-33(41-45)43-12-10-42(11-13-43)21-23-4-2-1-3-5-23/h1-9,16-20H,10-15,21-22H2,(H,38,40).

What are the key properties of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?

7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 620.14 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146662136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).