4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C26H27FN6O — CID 134446512

About 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 134446512) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
• PubChem CID: 134446512
• Molecular Formula: C26H27FN6O
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.22
• IUPAC Name: 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
• SMILES: CC1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(-c3ccn[nH]3)c2n1
• InChI: InChI=1S/C26H27FN6O/c1-17-16-34-13-12-33(17)24-15-21(19-5-4-18(14-22(19)27)32-10-2-3-11-32)20-6-8-28-26(25(20)30-24)23-7-9-29-31-23/h4-9,14-15,17H,2-3,10-13,16H2,1H3,(H,29,31)
• InChIKey: QEUYNHKFXRKDJR-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 70.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The IUPAC name of 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 134446512) is 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

What is the SMILES notation for 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The canonical SMILES for 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is CC1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(-c3ccn[nH]3)c2n1.

What is the InChIKey of 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The InChIKey is QEUYNHKFXRKDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-17-16-34-13-12-33(17)24-15-21(19-5-4-18(14-22(19)27)32-10-2-3-11-32)20-6-8-28-26(25(20)30-24)23-7-9-29-31-23/h4-9,14-15,17H,2-3,10-13,16H2,1H3,(H,29,31).

What are the key properties of 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?

4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 458.54 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 134446512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).