6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

C110H96N26O13 — CID 158286109

IUPAC6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C21H22N4O3.C21H20N4O2.C17H15N5O2.C17H13N5O.C17H14N4O3.C17H12N4O2/c1-13-6-5-7-15(24-13)10-16(20(27)28-21(2,3)4)14-8-9-18-23-11-17(19(22)26)25(18)12-14;1-14-6-5-7-16(24-14)10-18(20(26)27-21(2,3)4)15-8-9-19-23-12-17(11-22)25(19)13-15;1-10-3-2-4-12(21-10)7-13(16(18)23)11-5-6-15-20-8-14(17(19)24)22(15)9-11;1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-10-3-2-4-12(20-10)7-13(17(23)24)11-5-6-15-19-8-14(16(18)22)21(15)9-11;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h5-12H,1-4H3,(H2,22,26);5-10,12-13H,1-4H3;2-9H,1H3,(H2,18,23)(H2,19,24);2-7,9-10H,1H3,(H2,19,23);2-9H,1H3,(H2,18,22)(H,23,24);2-7,9-10H,1H3,(H,22,23)/b16-10+;18-10+;13-7+;15-7+;13-7+;15-7+
InChIKeyGKUMIBSGDDUPTI-CEBDIMFESA-N
MW1990.15 g/mol
LogP14.20
Rot. Bonds21

About 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (PubChem CID 158286109) has the molecular formula C110H96N26O13 and a molecular weight of 1990.15 g/mol. Its IUPAC name is 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
PubChem CID158286109
Molecular FormulaC110H96N26O13
Molecular Weight1990.15 g/mol
Exact Mass1988.77
IUPAC Name6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C21H22N4O3.C21H20N4O2.C17H15N5O2.C17H13N5O.C17H14N4O3.C17H12N4O2/c1-13-6-5-7-15(24-13)10-16(20(27)28-21(2,3)4)14-8-9-18-23-11-17(19(22)26)25(18)12-14;1-14-6-5-7-16(24-14)10-18(20(26)27-21(2,3)4)15-8-9-19-23-12-17(11-22)25(19)13-15;1-10-3-2-4-12(21-10)7-13(16(18)23)11-5-6-15-20-8-14(17(19)24)22(15)9-11;1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-10-3-2-4-12(20-10)7-13(17(23)24)11-5-6-15-19-8-14(16(18)22)21(15)9-11;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h5-12H,1-4H3,(H2,22,26);5-10,12-13H,1-4H3;2-9H,1H3,(H2,18,23)(H2,19,24);2-7,9-10H,1H3,(H2,19,23);2-9H,1H3,(H2,18,22)(H,23,24);2-7,9-10H,1H3,(H,22,23)/b16-10+;18-10+;13-7+;15-7+;13-7+;15-7+
InChIKeyGKUMIBSGDDUPTI-CEBDIMFESA-N
XLogP14.20
TPSA595.16 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.15
LogP ≤ 514.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (CID 158286109) is 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The InChIKey is GKUMIBSGDDUPTI-CEBDIMFESA-N. The full InChI is InChI=1S/C21H22N4O3.C21H20N4O2.C17H15N5O2.C17H13N5O.C17H14N4O3.C17H12N4O2/c1-13-6-5-7-15(24-13)10-16(20(27)28-21(2,3)4)14-8-9-18-23-11-17(19(22)26)25(18)12-14;1-14-6-5-7-16(24-14)10-18(20(26)27-21(2,3)4)15-8-9-19-23-12-17(11-22)25(19)13-15;1-10-3-2-4-12(21-10)7-13(16(18)23)11-5-6-15-20-8-14(17(19)24)22(15)9-11;1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-10-3-2-4-12(20-10)7-13(17(23)24)11-5-6-15-19-8-14(16(18)22)21(15)9-11;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h5-12H,1-4H3,(H2,22,26);5-10,12-13H,1-4H3;2-9H,1H3,(H2,18,23)(H2,19,24);2-7,9-10H,1H3,(H2,19,23);2-9H,1H3,(H2,18,22)(H,23,24);2-7,9-10H,1H3,(H,22,23)/b16-10+;18-10+;13-7+;15-7+;13-7+;15-7+.
What are the key properties of 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid has a molecular weight of 1990.15 g/mol, XLogP of 14.20, 21 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-amino-1-(6-methyl-2-pyridinyl)-3-oxoprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;tert-butyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate;(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 158286109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).