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

C28H32N6O4S — CID 118890587

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

(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890587) has the molecular formula C28H32N6O4S and a molecular weight of 548.67 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

• Compound Name: (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
• PubChem CID: 118890587
• Molecular Formula: C28H32N6O4S
• Molecular Weight: 548.67 g/mol
• Exact Mass: 548.22
• IUPAC Name: (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
• SMILES: Cc1nc(S(C)(=O)=O)ccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
• InChI: InChI=1S/C28H32N6O4S/c1-18-17-37-15-13-33(18)24-16-22(20-7-8-25(31-19(20)2)39(3,35)36)21-9-11-29-28(27(21)32-24)23-10-12-30-34(23)26-6-4-5-14-38-26/h7-12,16,18,26H,4-6,13-15,17H2,1-3H3/t18-,26?/m1/s1
• InChIKey: QHSNALADHUKELF-QOBPCVTDSA-N
• XLogP: 4.19
• 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	548.67
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (CID 118890587) is (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

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

The canonical SMILES for (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is Cc1nc(S(C)(=O)=O)ccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.

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

The InChIKey is QHSNALADHUKELF-QOBPCVTDSA-N. The full InChI is InChI=1S/C28H32N6O4S/c1-18-17-37-15-13-33(18)24-16-22(20-7-8-25(31-19(20)2)39(3,35)36)21-9-11-29-28(27(21)32-24)23-10-12-30-34(23)26-6-4-5-14-38-26/h7-12,16,18,26H,4-6,13-15,17H2,1-3H3/t18-,26?/m1/s1.

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

(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 548.67 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).