4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide

C56H40N14O2 — CID 139236293

IUPAC4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1nnc(-c2ccc(-n3nc4c(-c5cn(-c6ccccc6)nc5C(=O)Nc5ccccc5)nnc(-c5cn(-c6ccccc6)nc5C(=O)Nc5ccccc5)c4c3C)cc2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C56H40N14O2/c1-35-48-44(32-67(63-48)40-22-12-5-13-23-40)49(60-59-35)37-28-30-43(31-29-37)70-36(2)47-50(45-33-68(41-24-14-6-15-25-41)64-52(45)55(71)57-38-18-8-3-9-19-38)61-62-51(54(47)66-70)46-34-69(42-26-16-7-17-27-42)65-53(46)56(72)58-39-20-10-4-11-21-39/h3-34H,1-2H3,(H,57,71)(H,58,72)
InChIKeyQPRZVBSFXFRJRR-UHFFFAOYSA-N
MW941.03 g/mol
LogP10.44
Rot. Bonds11

About 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide

4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 139236293) has the molecular formula C56H40N14O2 and a molecular weight of 941.03 g/mol. Its IUPAC name is 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide
PubChem CID139236293
Molecular FormulaC56H40N14O2
Molecular Weight941.03 g/mol
Exact Mass940.35
IUPAC Name4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1nnc(-c2ccc(-n3nc4c(-c5cn(-c6ccccc6)nc5C(=O)Nc5ccccc5)nnc(-c5cn(-c6ccccc6)nc5C(=O)Nc5ccccc5)c4c3C)cc2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C56H40N14O2/c1-35-48-44(32-67(63-48)40-22-12-5-13-23-40)49(60-59-35)37-28-30-43(31-29-37)70-36(2)47-50(45-33-68(41-24-14-6-15-25-41)64-52(45)55(71)57-38-18-8-3-9-19-38)61-62-51(54(47)66-70)46-34-69(42-26-16-7-17-27-42)65-53(46)56(72)58-39-20-10-4-11-21-39/h3-34H,1-2H3,(H,57,71)(H,58,72)
InChIKeyQPRZVBSFXFRJRR-UHFFFAOYSA-N
XLogP10.44
TPSA181.04 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.03
LogP ≤ 510.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
N-[3-(dimethylamino)propyl]-4-[4-[9-[3-(dimethylamino)propyl]-6-[1-[4-[3-(dimethylamino)propylcarbamoyl]phenyl]triazol-4-yl]carbazol-3-yl]triazol-1-yl]benzamide
CID 168270034
US9796741, cmp No. 141
CID 118323529
US9796741, cmp No. 71
CID 118323709
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(4-phenylcyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72944804
4-[5-methyl-1-phenyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide
CID 71552130
4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
CID 71552131
4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 71552210
1-[4-[7-(3-Acetyl-1-phenylpyrazol-4-yl)-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-1-phenylpyrazol-3-yl]ethanone
CID 71552211
4-[4-[5-methyl-3,4-bis(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 139236290
1-[2-[(2S,4R)-4-fluoro-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(Z)-1-iminobut-2-en-2-yl]indazole-3-carboxamide
CID 118334335
1-[2-[2-[[5-(7-Azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334396

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide (CID 139236293) is 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide is Cc1nnc(-c2ccc(-n3nc4c(-c5cn(-c6ccccc6)nc5C(=O)Nc5ccccc5)nnc(-c5cn(-c6ccccc6)nc5C(=O)Nc5ccccc5)c4c3C)cc2)c2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is QPRZVBSFXFRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N14O2/c1-35-48-44(32-67(63-48)40-22-12-5-13-23-40)49(60-59-35)37-28-30-43(31-29-37)70-36(2)47-50(45-33-68(41-24-14-6-15-25-41)64-52(45)55(71)57-38-18-8-3-9-19-38)61-62-51(54(47)66-70)46-34-69(42-26-16-7-17-27-42)65-53(46)56(72)58-39-20-10-4-11-21-39/h3-34H,1-2H3,(H,57,71)(H,58,72).
What are the key properties of 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide?
4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 941.03 g/mol, XLogP of 10.44, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]-7-[1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[3,4-d]pyridazin-4-yl]-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 139236293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).