5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate

C69H70Cl2F6N16O9 — CID 167564100

IUPAC5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESC.C.C.C.COC(=O)C1(C(=O)Nc2ccc(-c3cnc4cnccn34)cc2)CC1.COC(=O)C1(C(=O)O)CC1.Nc1cc(C(F)(F)F)c(Cl)cn1.Nc1ccc(-c2cnc3cnccn23)cc1.O=C(Nc1ccc(-c2cnc3cnccn23)cc1)C1(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)CC1
InChIInChI=1S/C23H16ClF3N6O2.C18H16N4O3.C12H10N4.C6H4ClF3N2.C6H8O4.4CH4/c24-16-10-29-18(9-15(16)23(25,26)27)32-21(35)22(5-6-22)20(34)31-14-3-1-13(2-4-14)17-11-30-19-12-28-7-8-33(17)19;1-25-17(24)18(6-7-18)16(23)21-13-4-2-12(3-5-13)14-10-20-15-11-19-8-9-22(14)15;13-10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12;7-4-2-12-5(11)1-3(4)6(8,9)10;1-10-5(9)6(2-3-6)4(7)8;;;;/h1-4,7-12H,5-6H2,(H,31,34)(H,29,32,35);2-5,8-11H,6-7H2,1H3,(H,21,23);1-8H,13H2;1-2H,(H2,11,12);2-3H2,1H3,(H,7,8);4*1H4
InChIKeyFAXOFXDCUCTYCX-UHFFFAOYSA-N
MW1452.32 g/mol
LogP13.99
Rot. Bonds12

About 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate

5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 167564100) has the molecular formula C69H70Cl2F6N16O9 and a molecular weight of 1452.32 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID167564100
Molecular FormulaC69H70Cl2F6N16O9
Molecular Weight1452.32 g/mol
Exact Mass1450.48
IUPAC Name5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESC.C.C.C.COC(=O)C1(C(=O)Nc2ccc(-c3cnc4cnccn34)cc2)CC1.COC(=O)C1(C(=O)O)CC1.Nc1cc(C(F)(F)F)c(Cl)cn1.Nc1ccc(-c2cnc3cnccn23)cc1.O=C(Nc1ccc(-c2cnc3cnccn23)cc1)C1(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)CC1
InChIInChI=1S/C23H16ClF3N6O2.C18H16N4O3.C12H10N4.C6H4ClF3N2.C6H8O4.4CH4/c24-16-10-29-18(9-15(16)23(25,26)27)32-21(35)22(5-6-22)20(34)31-14-3-1-13(2-4-14)17-11-30-19-12-28-7-8-33(17)19;1-25-17(24)18(6-7-18)16(23)21-13-4-2-12(3-5-13)14-10-20-15-11-19-8-9-22(14)15;13-10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12;7-4-2-12-5(11)1-3(4)6(8,9)10;1-10-5(9)6(2-3-6)4(7)8;;;;/h1-4,7-12H,5-6H2,(H,31,34)(H,29,32,35);2-5,8-11H,6-7H2,1H3,(H,21,23);1-8H,13H2;1-2H,(H2,11,12);2-3H2,1H3,(H,7,8);4*1H4
InChIKeyFAXOFXDCUCTYCX-UHFFFAOYSA-N
XLogP13.99
TPSA345.59 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.32
LogP ≤ 513.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
CID 158982357
azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
CID 163951118
3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylaniline;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 167676763
tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine
CID 162079202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate (CID 167564100) is 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate is C.C.C.C.COC(=O)C1(C(=O)Nc2ccc(-c3cnc4cnccn34)cc2)CC1.COC(=O)C1(C(=O)O)CC1.Nc1cc(C(F)(F)F)c(Cl)cn1.Nc1ccc(-c2cnc3cnccn23)cc1.O=C(Nc1ccc(-c2cnc3cnccn23)cc1)C1(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is FAXOFXDCUCTYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N6O2.C18H16N4O3.C12H10N4.C6H4ClF3N2.C6H8O4.4CH4/c24-16-10-29-18(9-15(16)23(25,26)27)32-21(35)22(5-6-22)20(34)31-14-3-1-13(2-4-14)17-11-30-19-12-28-7-8-33(17)19;1-25-17(24)18(6-7-18)16(23)21-13-4-2-12(3-5-13)14-10-20-15-11-19-8-9-22(14)15;13-10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12;7-4-2-12-5(11)1-3(4)6(8,9)10;1-10-5(9)6(2-3-6)4(7)8;;;;/h1-4,7-12H,5-6H2,(H,31,34)(H,29,32,35);2-5,8-11H,6-7H2,1H3,(H,21,23);1-8H,13H2;1-2H,(H2,11,12);2-3H2,1H3,(H,7,8);4*1H4.
What are the key properties of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate?
5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 1452.32 g/mol, XLogP of 13.99, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 167564100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).