N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine

C24H22ClN7 — CID 59867442

IUPACN-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine
SMILESClc1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C24H22ClN7/c25-19-7-9-20(10-8-19)28-21-17-22(29-30-23(21)18-5-2-1-3-6-18)31-13-15-32(16-14-31)24-26-11-4-12-27-24/h1-12,17H,13-16H2,(H,28,29)
InChIKeyNPNALLNTRXWXSB-UHFFFAOYSA-N
MW443.94 g/mol
LogP4.66
Rot. Bonds5

About N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine

N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine (PubChem CID 59867442) has the molecular formula C24H22ClN7 and a molecular weight of 443.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine
PubChem CID59867442
Molecular FormulaC24H22ClN7
Molecular Weight443.94 g/mol
Exact Mass443.16
IUPAC NameN-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine
SMILESClc1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C24H22ClN7/c25-19-7-9-20(10-8-19)28-21-17-22(29-30-23(21)18-5-2-1-3-6-18)31-13-15-32(16-14-31)24-26-11-4-12-27-24/h1-12,17H,13-16H2,(H,28,29)
InChIKeyNPNALLNTRXWXSB-UHFFFAOYSA-N
XLogP4.66
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 53073252
N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898936
[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946
N-(5-chloro-2-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958061
3-[(4-chlorobenzoyl)amino]-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid
CID 46285243
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine
CID 143573138

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine (CID 59867442) is N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine is Clc1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine?
The InChIKey is NPNALLNTRXWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7/c25-19-7-9-20(10-8-19)28-21-17-22(29-30-23(21)18-5-2-1-3-6-18)31-13-15-32(16-14-31)24-26-11-4-12-27-24/h1-12,17H,13-16H2,(H,28,29).
What are the key properties of N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine?
N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine has a molecular weight of 443.94 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine is sourced from PubChem (CID 59867442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).