4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol

C25H22F2N8O — CID 67503680

IUPAC4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol
SMILESCN(c1ccnc2cc(C3(O)CCNCC3)cnc12)c1nnc2ccc(-c3cc(F)cc(F)c3)nn12
InChIInChI=1S/C25H22F2N8O/c1-34(21-4-7-29-20-12-16(14-30-23(20)21)25(36)5-8-28-9-6-25)24-32-31-22-3-2-19(33-35(22)24)15-10-17(26)13-18(27)11-15/h2-4,7,10-14,28,36H,5-6,8-9H2,1H3
InChIKeyWDZGZRXAHPOSIX-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.35
Rot. Bonds4

About 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol

4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol (PubChem CID 67503680) has the molecular formula C25H22F2N8O and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol
PubChem CID67503680
Molecular FormulaC25H22F2N8O
Molecular Weight488.50 g/mol
Exact Mass488.19
IUPAC Name4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol
SMILESCN(c1ccnc2cc(C3(O)CCNCC3)cnc12)c1nnc2ccc(-c3cc(F)cc(F)c3)nn12
InChIInChI=1S/C25H22F2N8O/c1-34(21-4-7-29-20-12-16(14-30-23(20)21)25(36)5-8-28-9-6-25)24-32-31-22-3-2-19(33-35(22)24)15-10-17(26)13-18(27)11-15/h2-4,7,10-14,28,36H,5-6,8-9H2,1H3
InChIKeyWDZGZRXAHPOSIX-UHFFFAOYSA-N
XLogP3.35
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol?
The IUPAC name of 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol (CID 67503680) is 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol.
What is the SMILES notation for 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol?
The canonical SMILES for 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol is CN(c1ccnc2cc(C3(O)CCNCC3)cnc12)c1nnc2ccc(-c3cc(F)cc(F)c3)nn12.
What is the InChIKey of 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol?
The InChIKey is WDZGZRXAHPOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O/c1-34(21-4-7-29-20-12-16(14-30-23(20)21)25(36)5-8-28-9-6-25)24-32-31-22-3-2-19(33-35(22)24)15-10-17(26)13-18(27)11-15/h2-4,7,10-14,28,36H,5-6,8-9H2,1H3.
What are the key properties of 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol?
4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol has a molecular weight of 488.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methylamino]-1,5-naphthyridin-3-yl]piperidin-4-ol is sourced from PubChem (CID 67503680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).