5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine

C38H41ClN12O2 — CID 159597976

About 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine

5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 159597976) has the molecular formula C38H41ClN12O2 and a molecular weight of 733.28 g/mol. Its IUPAC name is 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine
• PubChem CID: 159597976
• Molecular Formula: C38H41ClN12O2
• Molecular Weight: 733.28 g/mol
• Exact Mass: 732.32
• IUPAC Name: 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine
• SMILES: CC(C)(C)c1cc(N)no1.Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Cn1cc(-c2cnc3ccc(Nc4cc(C(C)(C)C)on4)nc3c2)cn1
• InChI: InChI=1S/C19H20N6O.C12H9ClN4.C7H12N2O/c1-19(2,3)16-8-18(24-26-16)23-17-6-5-14-15(22-17)7-12(9-20-14)13-10-21-25(4)11-13;1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;1-7(2,3)5-4-6(8)9-10-5/h5-11H,1-4H3,(H,22,23,24);2-7H,1H3;4H,1-3H3,(H2,8,9)
• InChIKey: MLCDVGDPNDYPPS-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 177.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.28
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine?

The IUPAC name of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine (CID 159597976) is 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine.

What is the SMILES notation for 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine?

The canonical SMILES for 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine is CC(C)(C)c1cc(N)no1.Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Cn1cc(-c2cnc3ccc(Nc4cc(C(C)(C)C)on4)nc3c2)cn1.

What is the InChIKey of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine?

The InChIKey is MLCDVGDPNDYPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.C12H9ClN4.C7H12N2O/c1-19(2,3)16-8-18(24-26-16)23-17-6-5-14-15(22-17)7-12(9-20-14)13-10-21-25(4)11-13;1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;1-7(2,3)5-4-6(8)9-10-5/h5-11H,1-4H3,(H,22,23,24);2-7H,1H3;4H,1-3H3,(H2,8,9).

What are the key properties of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine?

5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 733.28 g/mol, XLogP of 8.30, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine;5-tert-butyl-1,2-oxazol-3-amine;2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 159597976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).