6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide

C22H25F3N8O2 — CID 164518193

IUPAC6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C22H25F3N8O2/c23-22(24,25)21-30-29-18-7-8-19(31-33(18)21)35-16-4-2-15(3-5-16)28-20(34)14-1-6-17(27-13-14)32-11-9-26-10-12-32/h1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34)
InChIKeyIDDVBCMVRMXAOK-UHFFFAOYSA-N
MW490.49 g/mol
LogP2.07
Rot. Bonds5

About 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide

6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide (PubChem CID 164518193) has the molecular formula C22H25F3N8O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
PubChem CID164518193
Molecular FormulaC22H25F3N8O2
Molecular Weight490.49 g/mol
Exact Mass490.21
IUPAC Name6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C22H25F3N8O2/c23-22(24,25)21-30-29-18-7-8-19(31-33(18)21)35-16-4-2-15(3-5-16)28-20(34)14-1-6-17(27-13-14)32-11-9-26-10-12-32/h1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34)
InChIKeyIDDVBCMVRMXAOK-UHFFFAOYSA-N
XLogP2.07
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
CID 167147797
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
N-cyclopropyl-6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 71891796
N-piperidin-3-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119425253
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]benzoic acid
CID 67340981
6-morpholin-4-yl-N-[(1R,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyridine-3-carboxamide
CID 39620759
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 42654035
6-(azetidin-1-yl)-N-[4-(pyridin-2-ylamino)cyclohexyl]pyridine-3-carboxamide
CID 136584132

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide (CID 164518193) is 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is IDDVBCMVRMXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N8O2/c23-22(24,25)21-30-29-18-7-8-19(31-33(18)21)35-16-4-2-15(3-5-16)28-20(34)14-1-6-17(27-13-14)32-11-9-26-10-12-32/h1,6-8,13,15-16,26H,2-5,9-12H2,(H,28,34).
What are the key properties of 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?
6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 164518193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).