7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C42H46N14O2 — CID 160824198

About 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 160824198) has the molecular formula C42H46N14O2 and a molecular weight of 778.93 g/mol. Its IUPAC name is 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 160824198
• Molecular Formula: C42H46N14O2
• Molecular Weight: 778.93 g/mol
• Exact Mass: 778.39
• IUPAC Name: 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: COC(C)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.COCn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
• InChI: InChI=1S/C22H25N7O.C20H21N7O/c1-14(2)16-8-22(28-24-10-16)27-21-6-5-19-20(26-21)7-17(9-23-19)18-11-25-29(13-18)12-15(3)30-4;1-13(2)14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)6-15(8-21-17)16-10-23-27(11-16)12-28-3/h5-11,13-15H,12H2,1-4H3,(H,26,27,28);4-11,13H,12H2,1-3H3,(H,24,25,26)
• InChIKey: SFYHCAJCLZRXAH-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 181.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	778.93
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 160824198) is 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COC(C)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.COCn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.

What is the InChIKey of 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is SFYHCAJCLZRXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O.C20H21N7O/c1-14(2)16-8-22(28-24-10-16)27-21-6-5-19-20(26-21)7-17(9-23-19)18-11-25-29(13-18)12-15(3)30-4;1-13(2)14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)6-15(8-21-17)16-10-23-27(11-16)12-28-3/h5-11,13-15H,12H2,1-4H3,(H,26,27,28);4-11,13H,12H2,1-3H3,(H,24,25,26).

What are the key properties of 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 778.93 g/mol, XLogP of 7.94, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 160824198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).