N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C17H19N7OS — CID 52907587

IUPACN-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-11-16(26-22-12)19-17(25)13-5-9-23(10-6-13)14-3-4-15(21-20-14)24-8-2-7-18-24/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,25)
InChIKeyXLVDYTDUDBSAQJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 52907587) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID52907587
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-11-16(26-22-12)19-17(25)13-5-9-23(10-6-13)14-3-4-15(21-20-14)24-8-2-7-18-24/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,25)
InChIKeyXLVDYTDUDBSAQJ-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-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 52907587) is N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is XLVDYTDUDBSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-11-16(26-22-12)19-17(25)13-5-9-23(10-6-13)14-3-4-15(21-20-14)24-8-2-7-18-24/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,25).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-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-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 52907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).