6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine

C26H22ClFN8 — CID 146661908

About 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine (PubChem CID 146661908) has the molecular formula C26H22ClFN8 and a molecular weight of 500.97 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine.

Molecular Properties

• Compound Name: 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine
• PubChem CID: 146661908
• Molecular Formula: C26H22ClFN8
• Molecular Weight: 500.97 g/mol
• Exact Mass: 500.16
• IUPAC Name: 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine
• SMILES: Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Nc3ccc(N4CCNCC4)cn3)cc2n1
• InChI: InChI=1S/C26H22ClFN8/c27-16-1-3-21(28)19(11-16)26-20(15-32-35-26)22-4-5-23-24(34-22)12-17(13-30-23)33-25-6-2-18(14-31-25)36-9-7-29-8-10-36/h1-6,11-15,29H,7-10H2,(H,31,33)(H,32,35)
• InChIKey: JJKPEJWOHQSNFH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 94.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.97
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?

The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine (CID 146661908) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine.

What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?

The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Nc3ccc(N4CCNCC4)cn3)cc2n1.

What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?

The InChIKey is JJKPEJWOHQSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN8/c27-16-1-3-21(28)19(11-16)26-20(15-32-35-26)22-4-5-23-24(34-22)12-17(13-30-23)33-25-6-2-18(14-31-25)36-9-7-29-8-10-36/h1-6,11-15,29H,7-10H2,(H,31,33)(H,32,35).

What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine has a molecular weight of 500.97 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).