6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine

C23H21ClF2N6 — CID 146661817

About 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine (PubChem CID 146661817) has the molecular formula C23H21ClF2N6 and a molecular weight of 454.91 g/mol. Its IUPAC name is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine.

Molecular Properties

• Compound Name: 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
• PubChem CID: 146661817
• Molecular Formula: C23H21ClF2N6
• Molecular Weight: 454.91 g/mol
• Exact Mass: 454.15
• IUPAC Name: 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
• SMILES: Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NCCN4CCCC4)cc3n2)cc1Cl
• InChI: InChI=1S/C23H21ClF2N6/c24-17-10-15(18(25)11-19(17)26)23-16(13-29-31-23)20-3-4-21-22(30-20)9-14(12-28-21)27-5-8-32-6-1-2-7-32/h3-4,9-13,27H,1-2,5-8H2,(H,29,31)
• InChIKey: VHGRTFHQAPFVPP-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.91
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine (CID 146661817) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine.

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

The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine is Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NCCN4CCCC4)cc3n2)cc1Cl.

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

The InChIKey is VHGRTFHQAPFVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6/c24-17-10-15(18(25)11-19(17)26)23-16(13-29-31-23)20-3-4-21-22(30-20)9-14(12-28-21)27-5-8-32-6-1-2-7-32/h3-4,9-13,27H,1-2,5-8H2,(H,29,31).

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

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine has a molecular weight of 454.91 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).