4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine

C22H13ClF2N6 — CID 6539426

IUPAC4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C22H13ClF2N6/c23-14-5-3-13(4-6-14)21-20(19-2-1-10-27-31(19)30-21)18-9-11-26-22(29-18)28-15-7-8-16(24)17(25)12-15/h1-12H,(H,26,28,29)
InChIKeyWXHHGKIGHYBHPQ-UHFFFAOYSA-N
MW434.84 g/mol
LogP5.53
Rot. Bonds4

About 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine

4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine (PubChem CID 6539426) has the molecular formula C22H13ClF2N6 and a molecular weight of 434.84 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine
PubChem CID6539426
Molecular FormulaC22H13ClF2N6
Molecular Weight434.84 g/mol
Exact Mass434.09
IUPAC Name4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C22H13ClF2N6/c23-14-5-3-13(4-6-14)21-20(19-2-1-10-27-31(19)30-21)18-9-11-26-22(29-18)28-15-7-8-16(24)17(25)12-15/h1-12H,(H,26,28,29)
InChIKeyWXHHGKIGHYBHPQ-UHFFFAOYSA-N
XLogP5.53
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.84
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine 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

2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 30
CID 6539372
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine (CID 6539426) is 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)cc1F.
What is the InChIKey of 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine?
The InChIKey is WXHHGKIGHYBHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N6/c23-14-5-3-13(4-6-14)21-20(19-2-1-10-27-31(19)30-21)18-9-11-26-22(29-18)28-15-7-8-16(24)17(25)12-15/h1-12H,(H,26,28,29).
What are the key properties of 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine?
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine has a molecular weight of 434.84 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 6539426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).