N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

C25H32N6O — CID 46326780

IUPACN-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc3ccc(N4CCC(C(=O)NC5CCCCCC5)CC4)nn23)cc1
InChIInChI=1S/C25H32N6O/c1-18-8-10-19(11-9-18)24-28-27-22-12-13-23(29-31(22)24)30-16-14-20(15-17-30)25(32)26-21-6-4-2-3-5-7-21/h8-13,20-21H,2-7,14-17H2,1H3,(H,26,32)
InChIKeyWVFAOFFGUPENRG-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.16
Rot. Bonds4

About N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (PubChem CID 46326780) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
PubChem CID46326780
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC NameN-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc3ccc(N4CCC(C(=O)NC5CCCCCC5)CC4)nn23)cc1
InChIInChI=1S/C25H32N6O/c1-18-8-10-19(11-9-18)24-28-27-22-12-13-23(29-31(22)24)30-16-14-20(15-17-30)25(32)26-21-6-4-2-3-5-7-21/h8-13,20-21H,2-7,14-17H2,1H3,(H,26,32)
InChIKeyWVFAOFFGUPENRG-UHFFFAOYSA-N
XLogP4.16
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 50783122
1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclohexylpiperidine-4-carboxamide
CID 53038515
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801769
4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134803479
N-(furan-2-ylmethyl)-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326781
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783301
N-cyclooctyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42655620
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47060299
N-[(2R)-butan-2-yl]-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 92889356

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (CID 46326780) is N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NC5CCCCCC5)CC4)nn23)cc1.
What is the InChIKey of N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
The InChIKey is WVFAOFFGUPENRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-18-8-10-19(11-9-18)24-28-27-22-12-13-23(29-31(22)24)30-16-14-20(15-17-30)25(32)26-21-6-4-2-3-5-7-21/h8-13,20-21H,2-7,14-17H2,1H3,(H,26,32).
What are the key properties of N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?
N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46326780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).