N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide

C59H63BBrIN14O11S2 — CID 165029418

IUPACN-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide
SMILESI.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=Cc1ccc(B(O)O)cc1.O=S1(=O)CCNCC1
InChIInChI=1S/C21H23N5O3S.C17H14N4O2.C10H9BrN4O.C7H7BO3.C4H9NO2S.HI/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25;22-10-11-4-6-12(7-5-11)14-2-1-3-15-18-17(20-21(14)15)19-16(23)13-8-9-13;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;9-5-6-1-3-7(4-2-6)8(10)11;6-8(7)3-1-5-2-4-8;/h1-7,17H,8-14H2,(H,23,24,27);1-7,10,13H,8-9H2,(H,19,20,23);1-3,6H,4-5H2,(H,13,14,16);1-5,10-11H;5H,1-4H2;1H
InChIKeyFHJFPFLHVKHMAM-UHFFFAOYSA-N
MW1425.99 g/mol
LogP5.17
Rot. Bonds13

About N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide

N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide (PubChem CID 165029418) has the molecular formula C59H63BBrIN14O11S2 and a molecular weight of 1425.99 g/mol. Its IUPAC name is N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide.

Molecular Properties

Compound NameN-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide
PubChem CID165029418
Molecular FormulaC59H63BBrIN14O11S2
Molecular Weight1425.99 g/mol
Exact Mass1424.26
IUPAC NameN-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide
SMILESI.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=Cc1ccc(B(O)O)cc1.O=S1(=O)CCNCC1
InChIInChI=1S/C21H23N5O3S.C17H14N4O2.C10H9BrN4O.C7H7BO3.C4H9NO2S.HI/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25;22-10-11-4-6-12(7-5-11)14-2-1-3-15-18-17(20-21(14)15)19-16(23)13-8-9-13;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;9-5-6-1-3-7(4-2-6)8(10)11;6-8(7)3-1-5-2-4-8;/h1-7,17H,8-14H2,(H,23,24,27);1-7,10,13H,8-9H2,(H,19,20,23);1-3,6H,4-5H2,(H,13,14,16);1-5,10-11H;5H,1-4H2;1H
InChIKeyFHJFPFLHVKHMAM-UHFFFAOYSA-N
XLogP5.17
TPSA336.02 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001425.99
LogP ≤ 55.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide with MolForge

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Related Compounds

4,4-difluoropiperidine;(5-formylthiophen-2-yl)boronic acid;trans-(1R,2S)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167690359
4-[(4-bromophenyl)methyl]-1,4-thiazinane 1,1-dioxide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;iodomethane;methane;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydroiodide
CID 160250010
N-[5-[4-(bromomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 160563071
5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
CID 167652352
CID 168318387
CID 168318387

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide?
The IUPAC name of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide (CID 165029418) is N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide.
What is the SMILES notation for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide?
The canonical SMILES for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide is I.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=Cc1ccc(B(O)O)cc1.O=S1(=O)CCNCC1.
What is the InChIKey of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide?
The InChIKey is FHJFPFLHVKHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S.C17H14N4O2.C10H9BrN4O.C7H7BO3.C4H9NO2S.HI/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25;22-10-11-4-6-12(7-5-11)14-2-1-3-15-18-17(20-21(14)15)19-16(23)13-8-9-13;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;9-5-6-1-3-7(4-2-6)8(10)11;6-8(7)3-1-5-2-4-8;/h1-7,17H,8-14H2,(H,23,24,27);1-7,10,13H,8-9H2,(H,19,20,23);1-3,6H,4-5H2,(H,13,14,16);1-5,10-11H;5H,1-4H2;1H.
What are the key properties of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide?
N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide has a molecular weight of 1425.99 g/mol, XLogP of 5.17, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(4-formylphenyl)boronic acid;N-[5-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide;hydroiodide is sourced from PubChem (CID 165029418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).