4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine

C23H16ClN5 — CID 86717308

IUPAC4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine
SMILESClc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccn1
InChIInChI=1S/C23H16ClN5/c24-20-19-21(16-9-3-1-4-10-16)28-29(15-18-13-7-8-14-25-18)23(19)27-26-22(20)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyRNHPMAUKQCIGTG-UHFFFAOYSA-N
MW397.87 g/mol
LogP5.26
Rot. Bonds4

About 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine

4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine (PubChem CID 86717308) has the molecular formula C23H16ClN5 and a molecular weight of 397.87 g/mol. Its IUPAC name is 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine
PubChem CID86717308
Molecular FormulaC23H16ClN5
Molecular Weight397.87 g/mol
Exact Mass397.11
IUPAC Name4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine
SMILESClc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccn1
InChIInChI=1S/C23H16ClN5/c24-20-19-21(16-9-3-1-4-10-16)28-29(15-18-13-7-8-14-25-18)23(19)27-26-22(20)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyRNHPMAUKQCIGTG-UHFFFAOYSA-N
XLogP5.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine (CID 86717308) is 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine is Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccn1.
What is the InChIKey of 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine?
The InChIKey is RNHPMAUKQCIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5/c24-20-19-21(16-9-3-1-4-10-16)28-29(15-18-13-7-8-14-25-18)23(19)27-26-22(20)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine?
4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine has a molecular weight of 397.87 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 86717308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).