(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C22H25N7O — CID 118869597

About (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869597) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

• Compound Name: (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
• PubChem CID: 118869597
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
• SMILES: CC(C)n1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)n1
• InChI: InChI=1S/C22H25N7O/c1-14(2)29-9-6-18(27-29)17-12-20(28-10-11-30-13-15(28)3)25-21-16(17)4-7-23-22(21)19-5-8-24-26-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,24,26)/t15-/m1/s1
• InChIKey: HSHKEIMBRJWOAP-OAHLLOKOSA-N
• XLogP: 3.69
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

The IUPAC name of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869597) is (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

What is the SMILES notation for (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

The canonical SMILES for (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)n1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)n1.

What is the InChIKey of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

The InChIKey is HSHKEIMBRJWOAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N7O/c1-14(2)29-9-6-18(27-29)17-12-20(28-10-11-30-13-15(28)3)25-21-16(17)4-7-23-22(21)19-5-8-24-26-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,24,26)/t15-/m1/s1.

What are the key properties of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).