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

C27H30N6O2 — CID 134446600

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

3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 134446600) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

• Compound Name: 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
• PubChem CID: 134446600
• Molecular Formula: C27H30N6O2
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.24
• IUPAC Name: 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
• SMILES: Cc1cccnc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
• InChI: InChI=1S/C27H30N6O2/c1-18-6-5-10-28-25(18)21-16-23(32-13-15-34-17-19(32)2)31-26-20(21)8-11-29-27(26)22-9-12-30-33(22)24-7-3-4-14-35-24/h5-6,8-12,16,19,24H,3-4,7,13-15,17H2,1-2H3
• InChIKey: RQRJCHHRHPCTOI-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 78.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (CID 134446600) is 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

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

The canonical SMILES for 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is Cc1cccnc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.

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

The InChIKey is RQRJCHHRHPCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18-6-5-10-28-25(18)21-16-23(32-13-15-34-17-19(32)2)31-26-20(21)8-11-29-27(26)22-9-12-30-33(22)24-7-3-4-14-35-24/h5-6,8-12,16,19,24H,3-4,7,13-15,17H2,1-2H3.

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

3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 470.58 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 134446600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).