N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C20H19N9OS — CID 71810942

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCN(c2ccc(-n3cncn3)nn2)C1
InChIInChI=1S/C20H19N9OS/c30-19(25-20-24-16(11-31-20)15-5-1-2-8-22-15)14-4-3-9-28(10-14)17-6-7-18(27-26-17)29-13-21-12-23-29/h1-2,5-8,11-14H,3-4,9-10H2,(H,24,25,30)
InChIKeyRLXIFNPXOZHEHJ-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.43
Rot. Bonds5

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 71810942) has the molecular formula C20H19N9OS and a molecular weight of 433.50 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID71810942
Molecular FormulaC20H19N9OS
Molecular Weight433.50 g/mol
Exact Mass433.14
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCN(c2ccc(-n3cncn3)nn2)C1
InChIInChI=1S/C20H19N9OS/c30-19(25-20-24-16(11-31-20)15-5-1-2-8-22-15)14-4-3-9-28(10-14)17-6-7-18(27-26-17)29-13-21-12-23-29/h1-2,5-8,11-14H,3-4,9-10H2,(H,24,25,30)
InChIKeyRLXIFNPXOZHEHJ-UHFFFAOYSA-N
XLogP2.43
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 71810942) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1CCCN(c2ccc(-n3cncn3)nn2)C1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is RLXIFNPXOZHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9OS/c30-19(25-20-24-16(11-31-20)15-5-1-2-8-22-15)14-4-3-9-28(10-14)17-6-7-18(27-26-17)29-13-21-12-23-29/h1-2,5-8,11-14H,3-4,9-10H2,(H,24,25,30).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 433.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71810942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).