8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile

C17H11F3N8 — CID 143973991

IUPAC8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(N)cc(Nc3cc(-n4cccn4)cc(C(F)(F)F)c3)nn12
InChIInChI=1S/C17H11F3N8/c18-17(19,20)10-4-11(6-12(5-10)27-3-1-2-24-27)25-15-7-14(22)16-23-9-13(8-21)28(16)26-15/h1-7,9H,22H2,(H,25,26)
InChIKeyVIPYVSKUDOKBBQ-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.13
Rot. Bonds3

About 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile

8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 143973991) has the molecular formula C17H11F3N8 and a molecular weight of 384.33 g/mol. Its IUPAC name is 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID143973991
Molecular FormulaC17H11F3N8
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(N)cc(Nc3cc(-n4cccn4)cc(C(F)(F)F)c3)nn12
InChIInChI=1S/C17H11F3N8/c18-17(19,20)10-4-11(6-12(5-10)27-3-1-2-24-27)25-15-7-14(22)16-23-9-13(8-21)28(16)26-15/h1-7,9H,22H2,(H,25,26)
InChIKeyVIPYVSKUDOKBBQ-UHFFFAOYSA-N
XLogP3.13
TPSA109.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide
CID 143973959
8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 70958008
8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313948
8-(cyclopropylamino)-6-[3-(1,2,4-triazol-1-yl)-4-(trifluoromethoxy)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313981
6-N-[3-amino-5-(trifluoromethyl)phenyl]-8-N-(2-methoxyethyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
CID 89082256
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
CID 70901072
N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]acetamide
CID 59313974
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
6-(aziridin-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145179592
5-pyrazol-1-ylpyridine-2-carbonitrile
CID 115487796
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 143973991) is 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2c(N)cc(Nc3cc(-n4cccn4)cc(C(F)(F)F)c3)nn12.
What is the InChIKey of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is VIPYVSKUDOKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N8/c18-17(19,20)10-4-11(6-12(5-10)27-3-1-2-24-27)25-15-7-14(22)16-23-9-13(8-21)28(16)26-15/h1-7,9H,22H2,(H,25,26).
What are the key properties of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 384.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 143973991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).