5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile

C20H13F7N6 — CID 174093880

IUPAC5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=CN)/C=N/CC(F)(F)C(F)(F)C(F)(F)F)c(-c2ccn3ccnc3c2)n1
InChIInChI=1S/C20H13F7N6/c21-18(22,19(23,24)20(25,26)27)11-30-10-13(8-28)15-2-1-14(9-29)32-17(15)12-3-5-33-6-4-31-16(33)7-12/h1-8,10H,11,28H2/b13-8?,30-10+
InChIKeyHUEQDLGJSZKQSI-FEFFXOPRSA-N
MW470.35 g/mol
LogP4.47
Rot. Bonds6

About 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile

5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile (PubChem CID 174093880) has the molecular formula C20H13F7N6 and a molecular weight of 470.35 g/mol. Its IUPAC name is 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
PubChem CID174093880
Molecular FormulaC20H13F7N6
Molecular Weight470.35 g/mol
Exact Mass470.11
IUPAC Name5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=CN)/C=N/CC(F)(F)C(F)(F)C(F)(F)F)c(-c2ccn3ccnc3c2)n1
InChIInChI=1S/C20H13F7N6/c21-18(22,19(23,24)20(25,26)27)11-30-10-13(8-28)15-2-1-14(9-29)32-17(15)12-3-5-33-6-4-31-16(33)7-12/h1-8,10H,11,28H2/b13-8?,30-10+
InChIKeyHUEQDLGJSZKQSI-FEFFXOPRSA-N
XLogP4.47
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 174093918
5-[1-amino-3-(3,3,3-trifluoro-2,2-dimethylpropyl)iminoprop-1-en-2-yl]-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 174093984
5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 174093919
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
5-[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373800
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137374261
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
7-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridine
CID 121014694
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[2-(3,3,3-trifluoropropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373610
7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137371552
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?
The IUPAC name of 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile (CID 174093880) is 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile is N#Cc1ccc(C(=CN)/C=N/CC(F)(F)C(F)(F)C(F)(F)F)c(-c2ccn3ccnc3c2)n1.
What is the InChIKey of 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?
The InChIKey is HUEQDLGJSZKQSI-FEFFXOPRSA-N. The full InChI is InChI=1S/C20H13F7N6/c21-18(22,19(23,24)20(25,26)27)11-30-10-13(8-28)15-2-1-14(9-29)32-17(15)12-3-5-33-6-4-31-16(33)7-12/h1-8,10H,11,28H2/b13-8?,30-10+.
What are the key properties of 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?
5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile has a molecular weight of 470.35 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile is sourced from PubChem (CID 174093880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).