1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C25H29ClN8O — CID 90544006

IUPAC1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCN1CCN(c2cc(NC(=O)C3CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)ncn2)CC1
InChIInChI=1S/C25H29ClN8O/c1-32-12-14-34(15-13-32)24-16-22(27-17-28-24)29-25(35)19-8-10-33(11-9-19)23-7-6-21(30-31-23)18-2-4-20(26)5-3-18/h2-7,16-17,19H,8-15H2,1H3,(H,27,28,29,35)
InChIKeyGGTJWNXOTNGRJT-UHFFFAOYSA-N
MW493.02 g/mol
LogP3.19
Rot. Bonds5

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90544006) has the molecular formula C25H29ClN8O and a molecular weight of 493.02 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90544006
Molecular FormulaC25H29ClN8O
Molecular Weight493.02 g/mol
Exact Mass492.22
IUPAC Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCN1CCN(c2cc(NC(=O)C3CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)ncn2)CC1
InChIInChI=1S/C25H29ClN8O/c1-32-12-14-34(15-13-32)24-16-22(27-17-28-24)29-25(35)19-8-10-33(11-9-19)23-7-6-21(30-31-23)18-2-4-20(26)5-3-18/h2-7,16-17,19H,8-15H2,1H3,(H,27,28,29,35)
InChIKeyGGTJWNXOTNGRJT-UHFFFAOYSA-N
XLogP3.19
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.02
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
CID 30362233
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 30362072
1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90544737
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545442
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide
CID 121119423
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 52992502
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90544006) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is CN1CCN(c2cc(NC(=O)C3CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)ncn2)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is GGTJWNXOTNGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN8O/c1-32-12-14-34(15-13-32)24-16-22(27-17-28-24)29-25(35)19-8-10-33(11-9-19)23-7-6-21(30-31-23)18-2-4-20(26)5-3-18/h2-7,16-17,19H,8-15H2,1H3,(H,27,28,29,35).
What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 493.02 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90544006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).