1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C23H23N7OS — CID 52993029

IUPAC1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CCCN(c4ccc(-n5ccnc5)nn4)C3)c2)cs1
InChIInChI=1S/C23H23N7OS/c1-16-25-20(14-32-16)17-4-2-6-19(12-17)26-23(31)18-5-3-10-29(13-18)21-7-8-22(28-27-21)30-11-9-24-15-30/h2,4,6-9,11-12,14-15,18H,3,5,10,13H2,1H3,(H,26,31)
InChIKeyFBEABAPAGUURSC-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.95
Rot. Bonds5

About 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 52993029) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID52993029
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CCCN(c4ccc(-n5ccnc5)nn4)C3)c2)cs1
InChIInChI=1S/C23H23N7OS/c1-16-25-20(14-32-16)17-4-2-6-19(12-17)26-23(31)18-5-3-10-29(13-18)21-7-8-22(28-27-21)30-11-9-24-15-30/h2,4,6-9,11-12,14-15,18H,3,5,10,13H2,1H3,(H,26,31)
InChIKeyFBEABAPAGUURSC-UHFFFAOYSA-N
XLogP3.95
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 52993029) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)C3CCCN(c4ccc(-n5ccnc5)nn4)C3)c2)cs1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is FBEABAPAGUURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-16-25-20(14-32-16)17-4-2-6-19(12-17)26-23(31)18-5-3-10-29(13-18)21-7-8-22(28-27-21)30-11-9-24-15-30/h2,4,6-9,11-12,14-15,18H,3,5,10,13H2,1H3,(H,26,31).
What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 52993029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).