azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol

C45H54BrN19O9 — CID 158568738

IUPACazane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OCC)n2n1.CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(N)=O)n2n1.CCNC(=O)Nc1nc2cc(Br)cc(C(=O)OCC)n2n1.CO.N
InChIInChI=1S/C17H18N6O3.C15H15N7O2.C12H14BrN5O3.CH4O.H3N/c1-3-19-17(25)21-16-20-14-9-12(11-6-5-7-18-10-11)8-13(23(14)22-16)15(24)26-4-2;1-2-18-15(24)20-14-19-12-7-10(9-4-3-5-17-8-9)6-11(13(16)23)22(12)21-14;1-3-14-12(20)16-11-15-9-6-7(13)5-8(18(9)17-11)10(19)21-4-2;1-2;/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25);3-8H,2H2,1H3,(H2,16,23)(H2,18,20,21,24);5-6H,3-4H2,1-2H3,(H2,14,16,17,20);2H,1H3;1H3
InChIKeyFTPYMTLORCHZRV-UHFFFAOYSA-N
MW1084.95 g/mol
LogP4.72
Rot. Bonds13

About azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol

azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol (PubChem CID 158568738) has the molecular formula C45H54BrN19O9 and a molecular weight of 1084.95 g/mol. Its IUPAC name is azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol.

Molecular Properties

Compound Nameazane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol
PubChem CID158568738
Molecular FormulaC45H54BrN19O9
Molecular Weight1084.95 g/mol
Exact Mass1083.35
IUPAC Nameazane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OCC)n2n1.CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(N)=O)n2n1.CCNC(=O)Nc1nc2cc(Br)cc(C(=O)OCC)n2n1.CO.N
InChIInChI=1S/C17H18N6O3.C15H15N7O2.C12H14BrN5O3.CH4O.H3N/c1-3-19-17(25)21-16-20-14-9-12(11-6-5-7-18-10-11)8-13(23(14)22-16)15(24)26-4-2;1-2-18-15(24)20-14-19-12-7-10(9-4-3-5-17-8-9)6-11(13(16)23)22(12)21-14;1-3-14-12(20)16-11-15-9-6-7(13)5-8(18(9)17-11)10(19)21-4-2;1-2;/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25);3-8H,2H2,1H3,(H2,16,23)(H2,18,20,21,24);5-6H,3-4H2,1-2H3,(H2,14,16,17,20);2H,1H3;1H3
InChIKeyFTPYMTLORCHZRV-UHFFFAOYSA-N
XLogP4.72
TPSA390.66 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.95
LogP ≤ 54.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol with MolForge

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Related Compounds

2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid ethyl ester
CID 57643109
1-Ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835408
N-Ethyl-N'-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68839697
(4-(8-(5-(4-(Oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)pyridin-3-yl)methyl Acetate
CID 86684162
5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
CID 122446309
Ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen
CID 143209850
Methane;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 143846062
Ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine
CID 157149370
5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157408745
[2-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methanol;ethyl 2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 157530281
tert-butyl (2S)-4-[[3-[4-(aminomethyl)-2-pyridinyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[2-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-4-pyridinyl]methyl]pyridine-2,6-dicarboxamide
CID 157739083
Methyl 4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoate;methyl 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoate;6-(2-methylpyrrolidin-1-yl)pyridin-2-amine
CID 157767259

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol?
The IUPAC name of azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol (CID 158568738) is azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol.
What is the SMILES notation for azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol?
The canonical SMILES for azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OCC)n2n1.CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(N)=O)n2n1.CCNC(=O)Nc1nc2cc(Br)cc(C(=O)OCC)n2n1.CO.N.
What is the InChIKey of azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol?
The InChIKey is FTPYMTLORCHZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3.C15H15N7O2.C12H14BrN5O3.CH4O.H3N/c1-3-19-17(25)21-16-20-14-9-12(11-6-5-7-18-10-11)8-13(23(14)22-16)15(24)26-4-2;1-2-18-15(24)20-14-19-12-7-10(9-4-3-5-17-8-9)6-11(13(16)23)22(12)21-14;1-3-14-12(20)16-11-15-9-6-7(13)5-8(18(9)17-11)10(19)21-4-2;1-2;/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25);3-8H,2H2,1H3,(H2,16,23)(H2,18,20,21,24);5-6H,3-4H2,1-2H3,(H2,14,16,17,20);2H,1H3;1H3.
What are the key properties of azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol?
azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol has a molecular weight of 1084.95 g/mol, XLogP of 4.72, 13 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 7-bromo-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide;ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;methanol is sourced from PubChem (CID 158568738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).