2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine

C27H28ClF2N7 — CID 146662044

About 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine

2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine (PubChem CID 146662044) has the molecular formula C27H28ClF2N7 and a molecular weight of 524.02 g/mol. Its IUPAC name is 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine.

Molecular Properties

• Compound Name: 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine
• PubChem CID: 146662044
• Molecular Formula: C27H28ClF2N7
• Molecular Weight: 524.02 g/mol
• Exact Mass: 523.21
• IUPAC Name: 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine
• SMILES: CN1CCN(C2CCN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)c(F)cc5F)nc4c3)CC2)CC1
• InChI: InChI=1S/C27H28ClF2N7/c1-35-8-10-37(11-9-35)17-4-6-36(7-5-17)18-12-26-25(31-15-18)3-2-24(33-26)20-16-32-34-27(20)19-13-21(28)23(30)14-22(19)29/h2-3,12-17H,4-11H2,1H3,(H,32,34)
• InChIKey: CALUJADFOSJMOS-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 64.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.02
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?

The IUPAC name of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine (CID 146662044) is 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine.

What is the SMILES notation for 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?

The canonical SMILES for 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine is CN1CCN(C2CCN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)c(F)cc5F)nc4c3)CC2)CC1.

What is the InChIKey of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?

The InChIKey is CALUJADFOSJMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF2N7/c1-35-8-10-37(11-9-35)17-4-6-36(7-5-17)18-12-26-25(31-15-18)3-2-24(33-26)20-16-32-34-27(20)19-13-21(28)23(30)14-22(19)29/h2-3,12-17H,4-11H2,1H3,(H,32,34).

What are the key properties of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?

2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine has a molecular weight of 524.02 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 146662044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).