2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol

C38H24F3N9O — CID 137221570

About 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol

2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol (PubChem CID 137221570) has the molecular formula C38H24F3N9O and a molecular weight of 679.67 g/mol. Its IUPAC name is 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol.

Molecular Properties

• Compound Name: 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
• PubChem CID: 137221570
• Molecular Formula: C38H24F3N9O
• Molecular Weight: 679.67 g/mol
• Exact Mass: 679.21
• IUPAC Name: 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
• SMILES: Oc1c(-c2ccc3ncccc3n2)ccnc1NCc1cnc(-c2ccnc(Cc3cnc4ccc(-c5ccnc(F)c5F)nc4c3)c2)c(F)c1
• InChI: InChI=1S/C38H24F3N9O/c39-27-15-22(20-48-38-36(51)26(9-13-45-38)29-4-5-30-32(49-29)2-1-10-43-30)19-47-35(27)23-7-11-42-24(17-23)14-21-16-33-31(46-18-21)6-3-28(50-33)25-8-12-44-37(41)34(25)40/h1-13,15-19,51H,14,20H2,(H,45,48)
• InChIKey: JHGHGRLBSKIKJP-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 135.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.67
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?

The IUPAC name of 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol (CID 137221570) is 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol.

What is the SMILES notation for 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?

The canonical SMILES for 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol is Oc1c(-c2ccc3ncccc3n2)ccnc1NCc1cnc(-c2ccnc(Cc3cnc4ccc(-c5ccnc(F)c5F)nc4c3)c2)c(F)c1.

What is the InChIKey of 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?

The InChIKey is JHGHGRLBSKIKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F3N9O/c39-27-15-22(20-48-38-36(51)26(9-13-45-38)29-4-5-30-32(49-29)2-1-10-43-30)19-47-35(27)23-7-11-42-24(17-23)14-21-16-33-31(46-18-21)6-3-28(50-33)25-8-12-44-37(41)34(25)40/h1-13,15-19,51H,14,20H2,(H,45,48).

What are the key properties of 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?

2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol has a molecular weight of 679.67 g/mol, XLogP of 7.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-[[6-(2,3-difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol is sourced from PubChem (CID 137221570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).