(3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C27H29FN6O4S — CID 118869087

About (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869087) has the molecular formula C27H29FN6O4S and a molecular weight of 552.63 g/mol. Its IUPAC name is (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
• PubChem CID: 118869087
• Molecular Formula: C27H29FN6O4S
• Molecular Weight: 552.63 g/mol
• Exact Mass: 552.20
• IUPAC Name: (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
• SMILES: C[C@@H]1COCCN1c1cc(-c2cnc(S(C)(=O)=O)c(F)c2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
• InChI: InChI=1S/C27H29FN6O4S/c1-17-16-37-12-10-33(17)23-14-20(18-13-21(28)27(30-15-18)39(2,35)36)19-6-8-29-26(25(19)32-23)22-7-9-31-34(22)24-5-3-4-11-38-24/h6-9,13-15,17,24H,3-5,10-12,16H2,1-2H3/t17-,24?/m1/s1
• InChIKey: ROUFDSJSSNUXCA-BPNWFJGMSA-N
• XLogP: 4.02
• TPSA: 112.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.63
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The IUPAC name of (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869087) is (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

What is the SMILES notation for (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The canonical SMILES for (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cnc(S(C)(=O)=O)c(F)c2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.

What is the InChIKey of (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The InChIKey is ROUFDSJSSNUXCA-BPNWFJGMSA-N. The full InChI is InChI=1S/C27H29FN6O4S/c1-17-16-37-12-10-33(17)23-14-20(18-13-21(28)27(30-15-18)39(2,35)36)19-6-8-29-26(25(19)32-23)22-7-9-31-34(22)24-5-3-4-11-38-24/h6-9,13-15,17,24H,3-5,10-12,16H2,1-2H3/t17-,24?/m1/s1.

What are the key properties of (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

(3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 552.63 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[4-(5-fluoro-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).