(E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine

C48H33ClF5N19O5 — CID 158699932

IUPAC(E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine
SMILESC/C=C/C#N.N#Cc1cnc2ccc(F)cn12.Nc1ccc(F)cn1.O=C1CC(c2cnc3ccc(F)cn23)=NC=C1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.[H]/N=C(\N)c1cnc2ccc(F)cn12
InChIInChI=1S/C12H7FN4O3.C11H5ClFN5O2.C8H7FN4.C8H4FN3.C5H5FN2.C4H5N/c13-7-1-2-12-15-4-9(16(12)6-7)8-3-11(18)10(5-14-8)17(19)20;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;9-6-1-2-8-11-4-7(3-10)12(8)5-6;6-4-1-2-5(7)8-3-4;1-2-3-4-5/h1-2,4-6H,3H2;1-5H;1-4H,(H3,10,11);1-2,4-5H;1-3H,(H2,7,8);2-3H,1H3/b;;;;;3-2+
InChIKeyIHKJNWFUCBBKLE-GMXKUDHVSA-N
MW1086.36 g/mol
LogP7.84
Rot. Bonds5

About (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine

(E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine (PubChem CID 158699932) has the molecular formula C48H33ClF5N19O5 and a molecular weight of 1086.36 g/mol. Its IUPAC name is (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine.

Molecular Properties

Compound Name(E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine
PubChem CID158699932
Molecular FormulaC48H33ClF5N19O5
Molecular Weight1086.36 g/mol
Exact Mass1085.25
IUPAC Name(E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine
SMILESC/C=C/C#N.N#Cc1cnc2ccc(F)cn12.Nc1ccc(F)cn1.O=C1CC(c2cnc3ccc(F)cn23)=NC=C1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.[H]/N=C(\N)c1cnc2ccc(F)cn12
InChIInChI=1S/C12H7FN4O3.C11H5ClFN5O2.C8H7FN4.C8H4FN3.C5H5FN2.C4H5N/c13-7-1-2-12-15-4-9(16(12)6-7)8-3-11(18)10(5-14-8)17(19)20;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;9-6-1-2-8-11-4-7(3-10)12(8)5-6;6-4-1-2-5(7)8-3-4;1-2-3-4-5/h1-2,4-6H,3H2;1-5H;1-4H,(H3,10,11);1-2,4-5H;1-3H,(H2,7,8);2-3H,1H3/b;;;;;3-2+
InChIKeyIHKJNWFUCBBKLE-GMXKUDHVSA-N
XLogP7.84
TPSA347.05 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.36
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine with MolForge

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Related Compounds

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
CID 161908904
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine;pyridin-3-ylmethanamine
CID 157244248
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 157748880
1-Aminocyclohexane-1-carbonitrile;1-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexane-1-carbonitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;1-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carbonitrile
CID 157943383
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine
CID 158396311
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(2R)-3-methylbutan-2-yl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(2R)-3-methylbutan-2-yl]pyrimidine-4,5-diamine;(2R)-3-methylbutan-2-amine
CID 158899079
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
CID 159149146
5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;5-fluoropyridin-2-amine
CID 160502955
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(5-fluoro-2-pyridinyl)methyl]-5-nitropyrimidin-4-amine;6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-nitro-3,5-dihydro-2H-pyridin-4-one;(5-fluoro-2-pyridinyl)methanamine
CID 160979802
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine;1-methoxypropan-2-amine
CID 161003962
tert-butyl (3R)-3-aminobutanoate;tert-butyl (3R)-3-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]butanoate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]butanoate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine
CID 161146123
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine;pyridin-2-ylmethanamine
CID 161244487

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine?
The IUPAC name of (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine (CID 158699932) is (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine.
What is the SMILES notation for (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine?
The canonical SMILES for (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine is C/C=C/C#N.N#Cc1cnc2ccc(F)cn12.Nc1ccc(F)cn1.O=C1CC(c2cnc3ccc(F)cn23)=NC=C1[N+](=O)[O-].O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.[H]/N=C(\N)c1cnc2ccc(F)cn12.
What is the InChIKey of (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine?
The InChIKey is IHKJNWFUCBBKLE-GMXKUDHVSA-N. The full InChI is InChI=1S/C12H7FN4O3.C11H5ClFN5O2.C8H7FN4.C8H4FN3.C5H5FN2.C4H5N/c13-7-1-2-12-15-4-9(16(12)6-7)8-3-11(18)10(5-14-8)17(19)20;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;9-6-1-2-8-11-4-7(3-10)12(8)5-6;6-4-1-2-5(7)8-3-4;1-2-3-4-5/h1-2,4-6H,3H2;1-5H;1-4H,(H3,10,11);1-2,4-5H;1-3H,(H2,7,8);2-3H,1H3/b;;;;;3-2+.
What are the key properties of (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine?
(E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine has a molecular weight of 1086.36 g/mol, XLogP of 7.84, 5 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enenitrile;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-3H-pyridin-4-one;5-fluoropyridin-2-amine is sourced from PubChem (CID 158699932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).