2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

C25H25FN8O2 — CID 138589243

About 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (PubChem CID 138589243) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
• PubChem CID: 138589243
• Molecular Formula: C25H25FN8O2
• Molecular Weight: 488.53 g/mol
• Exact Mass: 488.21
• IUPAC Name: 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cc2cc(-c3cnn4c3CN(CCF)CC4)cnc2cn1)c1ccnc(OC2CNC2)c1
• InChI: InChI=1S/C25H25FN8O2/c26-2-4-33-5-6-34-22(15-33)20(13-31-34)18-7-17-8-23(30-14-21(17)29-10-18)32-25(35)16-1-3-28-24(9-16)36-19-11-27-12-19/h1,3,7-10,13-14,19,27H,2,4-6,11-12,15H2,(H,30,32,35)
• InChIKey: UZWMPVLMNWCXJP-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 110.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.53
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (CID 138589243) is 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is O=C(Nc1cc2cc(-c3cnn4c3CN(CCF)CC4)cnc2cn1)c1ccnc(OC2CNC2)c1.

What is the InChIKey of 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

The InChIKey is UZWMPVLMNWCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c26-2-4-33-5-6-34-22(15-33)20(13-31-34)18-7-17-8-23(30-14-21(17)29-10-18)32-25(35)16-1-3-28-24(9-16)36-19-11-27-12-19/h1,3,7-10,13-14,19,27H,2,4-6,11-12,15H2,(H,30,32,35).

What are the key properties of 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138589243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).