(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine

C26H31FN6O — CID 155903537

About (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 155903537) has the molecular formula C26H31FN6O and a molecular weight of 462.57 g/mol. Its IUPAC name is (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
• PubChem CID: 155903537
• Molecular Formula: C26H31FN6O
• Molecular Weight: 462.57 g/mol
• Exact Mass: 462.25
• IUPAC Name: (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
• SMILES: C[C@@H]1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(C3CCNN3)c2n1
• InChI: InChI=1S/C26H31FN6O/c1-17-16-34-13-12-33(17)24-15-21(19-5-4-18(14-22(19)27)32-10-2-3-11-32)20-6-8-28-26(25(20)30-24)23-7-9-29-31-23/h4-6,8,14-15,17,23,29,31H,2-3,7,9-13,16H2,1H3/t17-,23?/m1/s1
• InChIKey: ALIIRPARKACPGH-LIXIDFRTSA-N
• XLogP: 3.80
• TPSA: 65.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.57
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The IUPAC name of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 155903537) is (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.

What is the SMILES notation for (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The canonical SMILES for (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(C3CCNN3)c2n1.

What is the InChIKey of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The InChIKey is ALIIRPARKACPGH-LIXIDFRTSA-N. The full InChI is InChI=1S/C26H31FN6O/c1-17-16-34-13-12-33(17)24-15-21(19-5-4-18(14-22(19)27)32-10-2-3-11-32)20-6-8-28-26(25(20)30-24)23-7-9-29-31-23/h4-6,8,14-15,17,23,29,31H,2-3,7,9-13,16H2,1H3/t17-,23?/m1/s1.

What are the key properties of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?

(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 462.57 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 155903537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).