1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide

C19H23N7OS — CID 90514354

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)sn1
InChIInChI=1S/C19H23N7OS/c1-12-10-14(3)26(23-12)17-5-4-16(21-22-17)25-8-6-15(7-9-25)19(27)20-18-11-13(2)24-28-18/h4-5,10-11,15H,6-9H2,1-3H3,(H,20,27)
InChIKeyPJIFYAPLDWNDCO-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.90
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide (PubChem CID 90514354) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
PubChem CID90514354
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)sn1
InChIInChI=1S/C19H23N7OS/c1-12-10-14(3)26(23-12)17-5-4-16(21-22-17)25-8-6-15(7-9-25)19(27)20-18-11-13(2)24-28-18/h4-5,10-11,15H,6-9H2,1-3H3,(H,20,27)
InChIKeyPJIFYAPLDWNDCO-UHFFFAOYSA-N
XLogP2.90
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide (CID 90514354) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)sn1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is PJIFYAPLDWNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-12-10-14(3)26(23-12)17-5-4-16(21-22-17)25-8-6-15(7-9-25)19(27)20-18-11-13(2)24-28-18/h4-5,10-11,15H,6-9H2,1-3H3,(H,20,27).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 397.51 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90514354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).