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

C23H28N6O2 — CID 90514645

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)c1
InChIInChI=1S/C23H28N6O2/c1-16-12-17(2)29(27-16)22-10-9-21(25-26-22)28-11-5-7-19(15-28)23(30)24-14-18-6-4-8-20(13-18)31-3/h4,6,8-10,12-13,19H,5,7,11,14-15H2,1-3H3,(H,24,30)
InChIKeyUAYUDHPFBSDWQN-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.82
Rot. Bonds6

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

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 90514645) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID90514645
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)c1
InChIInChI=1S/C23H28N6O2/c1-16-12-17(2)29(27-16)22-10-9-21(25-26-22)28-11-5-7-19(15-28)23(30)24-14-18-6-4-8-20(13-18)31-3/h4,6,8-10,12-13,19H,5,7,11,14-15H2,1-3H3,(H,24,30)
InChIKeyUAYUDHPFBSDWQN-UHFFFAOYSA-N
XLogP2.82
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 90514702
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 90520746
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
methyl 2-[[(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 94920585
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 90514592
(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90514534
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 90514645) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1cccc(CNC(=O)C2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)c1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UAYUDHPFBSDWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-12-17(2)29(27-16)22-10-9-21(25-26-22)28-11-5-7-19(15-28)23(30)24-14-18-6-4-8-20(13-18)31-3/h4,6,8-10,12-13,19H,5,7,11,14-15H2,1-3H3,(H,24,30).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 90514645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).