2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine

C56H57ClN16 — CID 161106621

About 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine

2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine (PubChem CID 161106621) has the molecular formula C56H57ClN16 and a molecular weight of 989.64 g/mol. Its IUPAC name is 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
• PubChem CID: 161106621
• Molecular Formula: C56H57ClN16
• Molecular Weight: 989.64 g/mol
• Exact Mass: 988.46
• IUPAC Name: 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
• SMILES: Clc1ccc2ncc(-c3cnn(CCCN4CCCC4)c3)cc2n1.Nc1cc(-c2ccccc2)cnn1.c1ccc(-c2cnnc(Nc3ccc4ncc(-c5cnn(CCCN6CCCC6)c5)cc4n3)c2)cc1
• InChI: InChI=1S/C28H28N8.C18H20ClN5.C10H9N3/c1-2-7-21(8-3-1)23-16-28(34-30-18-23)33-27-10-9-25-26(32-27)15-22(17-29-25)24-19-31-36(20-24)14-6-13-35-11-4-5-12-35;19-18-5-4-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)9-3-8-23-6-1-2-7-23;11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h1-3,7-10,15-20H,4-6,11-14H2,(H,32,33,34);4-5,10-13H,1-3,6-9H2;1-7H,(H2,11,13)
• InChIKey: UJDCKUZUNJVWJG-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 183.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.64
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?

The IUPAC name of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine (CID 161106621) is 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine.

What is the SMILES notation for 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?

The canonical SMILES for 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine is Clc1ccc2ncc(-c3cnn(CCCN4CCCC4)c3)cc2n1.Nc1cc(-c2ccccc2)cnn1.c1ccc(-c2cnnc(Nc3ccc4ncc(-c5cnn(CCCN6CCCC6)c5)cc4n3)c2)cc1.

What is the InChIKey of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?

The InChIKey is UJDCKUZUNJVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8.C18H20ClN5.C10H9N3/c1-2-7-21(8-3-1)23-16-28(34-30-18-23)33-27-10-9-25-26(32-27)15-22(17-29-25)24-19-31-36(20-24)14-6-13-35-11-4-5-12-35;19-18-5-4-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)9-3-8-23-6-1-2-7-23;11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h1-3,7-10,15-20H,4-6,11-14H2,(H,32,33,34);4-5,10-13H,1-3,6-9H2;1-7H,(H2,11,13).

What are the key properties of 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?

2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine has a molecular weight of 989.64 g/mol, XLogP of 10.54, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 161106621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).