1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride

C151H148BrCl5F4N48O18 — CID 158738412

IUPAC1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride
SMILESC.CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)nn3)nc12.CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)nn3)nc12.CCOC(=O)C(=O)CN.Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.O=C(OCc1ccccc1)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.O=C1CN=CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)C1=O
InChIInChI=1S/C26H20ClFN10O3.C26H28N6O4.C23H20ClFN8O.C22H19ClFN9O.C21H18BrN5O2.C19H22N6O4.C8H7ClFN3.C5H9NO3.CH4.ClH/c27-17-3-4-35-13-31-18(23(35)22(17)28)6-30-25(40)19-11-37(34-33-19)10-16-9-36-8-15(14-1-2-14)5-20(24(36)32-16)38-12-29-7-21(39)26(38)41;1-26(2,3)36-25(34)28-21-11-19(18-9-10-18)12-31-13-20(27-23(21)31)14-32-15-22(29-30-32)24(33)35-16-17-7-5-4-6-8-17;1-13-6-15(14-2-3-14)8-32-9-16(28-22(13)32)10-33-11-19(29-30-33)23(34)26-7-18-21-20(25)17(24)4-5-31(21)12-27-18;23-15-3-4-31-11-27-17(20(31)19(15)24)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(25)21(32)28-14;22-18-8-16(15-6-7-15)9-26-10-17(23-20(18)26)11-27-12-19(24-25-27)21(28)29-13-14-4-2-1-3-5-14;1-19(2,3)29-18(28)21-14-6-12(11-4-5-11)7-24-8-13(20-16(14)24)9-25-10-15(17(26)27)22-23-25;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-2-9-5(8)4(7)3-6;;/h3-5,8-9,11-14H,1-2,6-7,10H2,(H,30,40);4-8,11-13,15,18H,9-10,14,16H2,1-3H3,(H,28,34);4-6,8-9,11-12,14H,2-3,7,10H2,1H3,(H,26,34);3-5,7-8,10-12H,1-2,6,9,25H2,(H,26,34);1-5,8-10,12,15H,6-7,11,13H2;6-8,10-11H,4-5,9H2,1-3H3,(H,21,28)(H,26,27);1-2,4H,3,11H2;2-3,6H2,1H3;1H4;1H
InChIKeyFUMGZKFQEZKDAM-UHFFFAOYSA-N
MW3256.32 g/mol
LogP21.64
Rot. Bonds41

About 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride

1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride (PubChem CID 158738412) has the molecular formula C151H148BrCl5F4N48O18 and a molecular weight of 3256.32 g/mol. Its IUPAC name is 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride.

Molecular Properties

Compound Name1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride
PubChem CID158738412
Molecular FormulaC151H148BrCl5F4N48O18
Molecular Weight3256.32 g/mol
Exact Mass3250.97
IUPAC Name1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride
SMILESC.CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)nn3)nc12.CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)nn3)nc12.CCOC(=O)C(=O)CN.Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.O=C(OCc1ccccc1)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.O=C1CN=CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)C1=O
InChIInChI=1S/C26H20ClFN10O3.C26H28N6O4.C23H20ClFN8O.C22H19ClFN9O.C21H18BrN5O2.C19H22N6O4.C8H7ClFN3.C5H9NO3.CH4.ClH/c27-17-3-4-35-13-31-18(23(35)22(17)28)6-30-25(40)19-11-37(34-33-19)10-16-9-36-8-15(14-1-2-14)5-20(24(36)32-16)38-12-29-7-21(39)26(38)41;1-26(2,3)36-25(34)28-21-11-19(18-9-10-18)12-31-13-20(27-23(21)31)14-32-15-22(29-30-32)24(33)35-16-17-7-5-4-6-8-17;1-13-6-15(14-2-3-14)8-32-9-16(28-22(13)32)10-33-11-19(29-30-33)23(34)26-7-18-21-20(25)17(24)4-5-31(21)12-27-18;23-15-3-4-31-11-27-17(20(31)19(15)24)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(25)21(32)28-14;22-18-8-16(15-6-7-15)9-26-10-17(23-20(18)26)11-27-12-19(24-25-27)21(28)29-13-14-4-2-1-3-5-14;1-19(2,3)29-18(28)21-14-6-12(11-4-5-11)7-24-8-13(20-16(14)24)9-25-10-15(17(26)27)22-23-25;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-2-9-5(8)4(7)3-6;;/h3-5,8-9,11-14H,1-2,6-7,10H2,(H,30,40);4-8,11-13,15,18H,9-10,14,16H2,1-3H3,(H,28,34);4-6,8-9,11-12,14H,2-3,7,10H2,1H3,(H,26,34);3-5,7-8,10-12H,1-2,6,9,25H2,(H,26,34);1-5,8-10,12,15H,6-7,11,13H2;6-8,10-11H,4-5,9H2,1-3H3,(H,21,28)(H,26,27);1-2,4H,3,11H2;2-3,6H2,1H3;1H4;1H
InChIKeyFUMGZKFQEZKDAM-UHFFFAOYSA-N
XLogP21.64
TPSA782.29 Ų
H-Bond Donors9
H-Bond Acceptors59
Rotatable Bonds41
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003256.32
LogP ≤ 521.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride?
The IUPAC name of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride (CID 158738412) is 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride.
What is the SMILES notation for 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride?
The canonical SMILES for 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride is C.CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)nn3)nc12.CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)nn3)nc12.CCOC(=O)C(=O)CN.Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.Cl.NCc1ncn2ccc(Cl)c(F)c12.Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.O=C(OCc1ccccc1)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.O=C1CN=CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)C1=O.
What is the InChIKey of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride?
The InChIKey is FUMGZKFQEZKDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN10O3.C26H28N6O4.C23H20ClFN8O.C22H19ClFN9O.C21H18BrN5O2.C19H22N6O4.C8H7ClFN3.C5H9NO3.CH4.ClH/c27-17-3-4-35-13-31-18(23(35)22(17)28)6-30-25(40)19-11-37(34-33-19)10-16-9-36-8-15(14-1-2-14)5-20(24(36)32-16)38-12-29-7-21(39)26(38)41;1-26(2,3)36-25(34)28-21-11-19(18-9-10-18)12-31-13-20(27-23(21)31)14-32-15-22(29-30-32)24(33)35-16-17-7-5-4-6-8-17;1-13-6-15(14-2-3-14)8-32-9-16(28-22(13)32)10-33-11-19(29-30-33)23(34)26-7-18-21-20(25)17(24)4-5-31(21)12-27-18;23-15-3-4-31-11-27-17(20(31)19(15)24)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(25)21(32)28-14;22-18-8-16(15-6-7-15)9-26-10-17(23-20(18)26)11-27-12-19(24-25-27)21(28)29-13-14-4-2-1-3-5-14;1-19(2,3)29-18(28)21-14-6-12(11-4-5-11)7-24-8-13(20-16(14)24)9-25-10-15(17(26)27)22-23-25;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-2-9-5(8)4(7)3-6;;/h3-5,8-9,11-14H,1-2,6-7,10H2,(H,30,40);4-8,11-13,15,18H,9-10,14,16H2,1-3H3,(H,28,34);4-6,8-9,11-12,14H,2-3,7,10H2,1H3,(H,26,34);3-5,7-8,10-12H,1-2,6,9,25H2,(H,26,34);1-5,8-10,12,15H,6-7,11,13H2;6-8,10-11H,4-5,9H2,1-3H3,(H,21,28)(H,26,27);1-2,4H,3,11H2;2-3,6H2,1H3;1H4;1H.
What are the key properties of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride?
1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride has a molecular weight of 3256.32 g/mol, XLogP of 21.64, 41 rotatable bonds, 9 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;benzyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(5,6-dioxo-4H-pyrimidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 3-amino-2-oxopropanoate;methane;hydrochloride is sourced from PubChem (CID 158738412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).