N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C17H19N7OS — CID 52992976

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)n1
InChIInChI=1S/C17H19N7OS/c1-12-11-26-17(19-12)20-16(25)13-4-2-8-23(10-13)14-5-6-15(22-21-14)24-9-3-7-18-24/h3,5-7,9,11,13H,2,4,8,10H2,1H3,(H,19,20,25)
InChIKeyQLMVLNBIYRIQLV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52992976) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID52992976
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)n1
InChIInChI=1S/C17H19N7OS/c1-12-11-26-17(19-12)20-16(25)13-4-2-8-23(10-13)14-5-6-15(22-21-14)24-9-3-7-18-24/h3,5-7,9,11,13H,2,4,8,10H2,1H3,(H,19,20,25)
InChIKeyQLMVLNBIYRIQLV-UHFFFAOYSA-N
XLogP2.28
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52992976) is N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1csc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is QLMVLNBIYRIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-11-26-17(19-12)20-16(25)13-4-2-8-23(10-13)14-5-6-15(22-21-14)24-9-3-7-18-24/h3,5-7,9,11,13H,2,4,8,10H2,1H3,(H,19,20,25).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52992976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).