2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine

C34H29ClN12 — CID 162208846

About 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine

2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine (PubChem CID 162208846) has the molecular formula C34H29ClN12 and a molecular weight of 641.14 g/mol. Its IUPAC name is 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine
• PubChem CID: 162208846
• Molecular Formula: C34H29ClN12
• Molecular Weight: 641.14 g/mol
• Exact Mass: 640.23
• IUPAC Name: 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine
• SMILES: Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Cn1cc(-c2cnc3ccc(Nc4ccccn4)nc3c2)cn1.Nc1ccccn1
• InChI: InChI=1S/C17H14N6.C12H9ClN4.C5H6N2/c1-23-11-13(10-20-23)12-8-15-14(19-9-12)5-6-17(21-15)22-16-4-2-3-7-18-16;1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;6-5-3-1-2-4-7-5/h2-11H,1H3,(H,18,21,22);2-7H,1H3;1-4H,(H2,6,7)
• InChIKey: ZSOIVJVHCSKEQB-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 151.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	641.14
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine?

The IUPAC name of 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine (CID 162208846) is 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine.

What is the SMILES notation for 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine?

The canonical SMILES for 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Cn1cc(-c2cnc3ccc(Nc4ccccn4)nc3c2)cn1.Nc1ccccn1.

What is the InChIKey of 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine?

The InChIKey is ZSOIVJVHCSKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6.C12H9ClN4.C5H6N2/c1-23-11-13(10-20-23)12-8-15-14(19-9-12)5-6-17(21-15)22-16-4-2-3-7-18-16;1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;6-5-3-1-2-4-7-5/h2-11H,1H3,(H,18,21,22);2-7H,1H3;1-4H,(H2,6,7).

What are the key properties of 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine?

2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine has a molecular weight of 641.14 g/mol, XLogP of 6.52, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine is sourced from PubChem (CID 162208846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).