N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C25H26N8O2 — CID 122262568

IUPACN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)ncn2)cc1
InChIInChI=1S/C25H26N8O2/c1-35-21-5-3-18(4-6-21)22-15-20(27-17-28-22)16-26-25(34)19-9-13-32(14-10-19)23-7-8-24(31-30-23)33-12-2-11-29-33/h2-8,11-12,15,17,19H,9-10,13-14,16H2,1H3,(H,26,34)
InChIKeyRGBCLTSTSNALPN-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.66
Rot. Bonds7

About N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 122262568) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID122262568
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)ncn2)cc1
InChIInChI=1S/C25H26N8O2/c1-35-21-5-3-18(4-6-21)22-15-20(27-17-28-22)16-26-25(34)19-9-13-32(14-10-19)23-7-8-24(31-30-23)33-12-2-11-29-33/h2-8,11-12,15,17,19H,9-10,13-14,16H2,1H3,(H,26,34)
InChIKeyRGBCLTSTSNALPN-UHFFFAOYSA-N
XLogP2.66
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514047
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 90519423
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121122849
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 122262582
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 122262410
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 122262568) is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is COc1ccc(-c2cc(CNC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)ncn2)cc1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is RGBCLTSTSNALPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-35-21-5-3-18(4-6-21)22-15-20(27-17-28-22)16-26-25(34)19-9-13-32(14-10-19)23-7-8-24(31-30-23)33-12-2-11-29-33/h2-8,11-12,15,17,19H,9-10,13-14,16H2,1H3,(H,26,34).
What are the key properties of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 122262568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).