N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane

C20H21F5N8O — CID 157031797

IUPACN-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane
SMILESFC1(F)CCCCC1.N#Cc1cnn2cc(CNC(=O)c3cnn(CCC(F)(F)F)n3)nc2c1
InChIInChI=1S/C14H11F3N8O.C6H10F2/c15-14(16,17)1-2-25-21-7-11(23-25)13(26)19-6-10-8-24-12(22-10)3-9(4-18)5-20-24;7-6(8)4-2-1-3-5-6/h3,5,7-8H,1-2,6H2,(H,19,26);1-5H2
InChIKeyHKADONAHXPCKFS-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.66
Rot. Bonds5

About N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane

N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane (PubChem CID 157031797) has the molecular formula C20H21F5N8O and a molecular weight of 484.43 g/mol. Its IUPAC name is N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane.

Molecular Properties

Compound NameN-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane
PubChem CID157031797
Molecular FormulaC20H21F5N8O
Molecular Weight484.43 g/mol
Exact Mass484.18
IUPAC NameN-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane
SMILESFC1(F)CCCCC1.N#Cc1cnn2cc(CNC(=O)c3cnn(CCC(F)(F)F)n3)nc2c1
InChIInChI=1S/C14H11F3N8O.C6H10F2/c15-14(16,17)1-2-25-21-7-11(23-25)13(26)19-6-10-8-24-12(22-10)3-9(4-18)5-20-24;7-6(8)4-2-1-3-5-6/h3,5,7-8H,1-2,6H2,(H,19,26);1-5H2
InChIKeyHKADONAHXPCKFS-UHFFFAOYSA-N
XLogP3.66
TPSA113.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(7-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]-5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide;1,1-difluorocyclohexane
CID 157031405
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031379
1,1-difluorocyclohexane;N-[(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 157031002
cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide
CID 157031441
N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166822978
N-[(S)-[7-[cyclopropyl-(2,2-dimethylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 168845696
N-[[7-[cyclopropyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 166825341
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031784
N-[(S)-[7-[(tert-butylsulfinylamino)-cyclopropylmethyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 157030747
tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
CID 157031608
2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane
CID 157031210
tert-butyl N-[[7-(1-aminoethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane
CID 157030522

Frequently Asked Questions

What is the IUPAC name of N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane?
The IUPAC name of N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane (CID 157031797) is N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane.
What is the SMILES notation for N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane?
The canonical SMILES for N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane is FC1(F)CCCCC1.N#Cc1cnn2cc(CNC(=O)c3cnn(CCC(F)(F)F)n3)nc2c1.
What is the InChIKey of N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane?
The InChIKey is HKADONAHXPCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N8O.C6H10F2/c15-14(16,17)1-2-25-21-7-11(23-25)13(26)19-6-10-8-24-12(22-10)3-9(4-18)5-20-24;7-6(8)4-2-1-3-5-6/h3,5,7-8H,1-2,6H2,(H,19,26);1-5H2.
What are the key properties of N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane?
N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane has a molecular weight of 484.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-cyanoimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide;1,1-difluorocyclohexane is sourced from PubChem (CID 157031797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).