4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C27H27F2N5O2 — CID 134446578

About 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 134446578) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
• PubChem CID: 134446578
• Molecular Formula: C27H27F2N5O2
• Molecular Weight: 491.54 g/mol
• Exact Mass: 491.21
• IUPAC Name: 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
• SMILES: CC1COCCN1c1cc(-c2cccc(F)c2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
• InChI: InChI=1S/C27H27F2N5O2/c1-17-16-35-14-12-33(17)23-15-20(18-5-4-6-21(28)25(18)29)19-8-10-30-27(26(19)32-23)22-9-11-31-34(22)24-7-2-3-13-36-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3
• InChIKey: BPBJSPJDVZNEQG-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.54
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The IUPAC name of 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 134446578) is 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

What is the SMILES notation for 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The canonical SMILES for 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is CC1COCCN1c1cc(-c2cccc(F)c2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.

What is the InChIKey of 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The InChIKey is BPBJSPJDVZNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-17-16-35-14-12-33(17)23-15-20(18-5-4-6-21(28)25(18)29)19-8-10-30-27(26(19)32-23)22-9-11-31-34(22)24-7-2-3-13-36-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3.

What are the key properties of 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 491.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 134446578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).