2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine

C36H24F2N8O — CID 139233223

IUPAC2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(Oc3ccc(-c4nnc(C)c5nn(-c6ccc(F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(F)cc3)nc12
InChIInChI=1S/C36H24F2N8O/c1-21-33-31(19-45(43-33)27-11-7-25(37)8-12-27)35(41-39-21)23-3-15-29(16-4-23)47-30-17-5-24(6-18-30)36-32-20-46(28-13-9-26(38)10-14-28)44-34(32)22(2)40-42-36/h3-20H,1-2H3
InChIKeyVVGAELZNLSQAOW-UHFFFAOYSA-N
MW622.64 g/mol
LogP7.97
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine

2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine (PubChem CID 139233223) has the molecular formula C36H24F2N8O and a molecular weight of 622.64 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine
PubChem CID139233223
Molecular FormulaC36H24F2N8O
Molecular Weight622.64 g/mol
Exact Mass622.20
IUPAC Name2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(Oc3ccc(-c4nnc(C)c5nn(-c6ccc(F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(F)cc3)nc12
InChIInChI=1S/C36H24F2N8O/c1-21-33-31(19-45(43-33)27-11-7-25(37)8-12-27)35(41-39-21)23-3-15-29(16-4-23)47-30-17-5-24(6-18-30)36-32-20-46(28-13-9-26(38)10-14-28)44-34(32)22(2)40-42-36/h3-20H,1-2H3
InChIKeyVVGAELZNLSQAOW-UHFFFAOYSA-N
XLogP7.97
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.64
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine with MolForge

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Related Compounds

6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
2-Methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
4-[4-(2-Fluoroethyl)triazol-1-yl]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193712
4-[4-(2-Fluoroethyl)triazol-1-yl]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 122193934
7-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]triazol-4-yl]methoxy]-9-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]triazol-4-yl]methyl]-1-methylpyrido[3,4-b]indole
CID 155557600
6-(2-Fluoro-6-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162647208
6-(2-Ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162665862
(R)-1-(3-(3-(4-(2,3-difluorophenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130247008
tert-butyl (3R)-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate
CID 130247404
(R)-1-(3-(3-(4-(3-fluorophenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 130247406
(R)-1-(3-(3-(3-fluoro-4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 130247874

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine (CID 139233223) is 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine is Cc1nnc(-c2ccc(Oc3ccc(-c4nnc(C)c5nn(-c6ccc(F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine?
The InChIKey is VVGAELZNLSQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F2N8O/c1-21-33-31(19-45(43-33)27-11-7-25(37)8-12-27)35(41-39-21)23-3-15-29(16-4-23)47-30-17-5-24(6-18-30)36-32-20-46(28-13-9-26(38)10-14-28)44-34(32)22(2)40-42-36/h3-20H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine?
2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine has a molecular weight of 622.64 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-methylpyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-7-methylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 139233223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).