5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

C103H100ClN35O18S2 — CID 160516906

IUPAC5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cc2c(cn1)CN(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.CSc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2nc3cc(Cl)ccn3c2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2nc3ccccn3c2=O)o1
InChIInChI=1S/C22H22N6O5S.C22H22N6O3S.C21H21N7O4.C19H17ClN8O3.C19H18N8O3/c1-34(31,32)15-3-2-14-13-28(22(30)16(14)10-15)19-12-25-21(33-19)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-32-15-3-2-14-13-28(22(30)16(14)10-15)19-12-25-21(31-19)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-17-8-14-13(9-24-17)12-28(21(14)30)18-11-25-20(32-18)19(29)26-15-10-23-3-2-16(15)27-6-4-22-5-7-27;20-12-2-6-27-15(9-12)25-28(19(27)30)16-11-23-18(31-16)17(29)24-13-10-22-3-1-14(13)26-7-4-21-5-8-26;28-17(23-13-11-21-5-4-14(13)25-9-6-20-7-10-25)18-22-12-16(30-18)27-19(29)26-8-2-1-3-15(26)24-27/h2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-3,8-11,22H,4-7,12H2,1H3,(H,26,29);1-3,6,9-11,21H,4-5,7-8H2,(H,24,29);1-5,8,11-12,20H,6-7,9-10H2,(H,23,28)
InChIKeyQTTVFHPOYPEIEB-UHFFFAOYSA-N
MW2215.75 g/mol
LogP6.92
Rot. Bonds23

About 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (PubChem CID 160516906) has the molecular formula C103H100ClN35O18S2 and a molecular weight of 2215.75 g/mol. Its IUPAC name is 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
PubChem CID160516906
Molecular FormulaC103H100ClN35O18S2
Molecular Weight2215.75 g/mol
Exact Mass2213.71
IUPAC Name5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cc2c(cn1)CN(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.CSc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2nc3cc(Cl)ccn3c2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2nc3ccccn3c2=O)o1
InChIInChI=1S/C22H22N6O5S.C22H22N6O3S.C21H21N7O4.C19H17ClN8O3.C19H18N8O3/c1-34(31,32)15-3-2-14-13-28(22(30)16(14)10-15)19-12-25-21(33-19)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-32-15-3-2-14-13-28(22(30)16(14)10-15)19-12-25-21(31-19)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-17-8-14-13(9-24-17)12-28(21(14)30)18-11-25-20(32-18)19(29)26-15-10-23-3-2-16(15)27-6-4-22-5-7-27;20-12-2-6-27-15(9-12)25-28(19(27)30)16-11-23-18(31-16)17(29)24-13-10-22-3-1-14(13)26-7-4-21-5-8-26;28-17(23-13-11-21-5-4-14(13)25-9-6-20-7-10-25)18-22-12-16(30-18)27-19(29)26-8-2-1-3-15(26)24-27/h2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-3,8-11,22H,4-7,12H2,1H3,(H,26,29);1-3,6,9-11,21H,4-5,7-8H2,(H,24,29);1-5,8,11-12,20H,6-7,9-10H2,(H,23,28)
InChIKeyQTTVFHPOYPEIEB-UHFFFAOYSA-N
XLogP6.92
TPSA612.24 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds23
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002215.75
LogP ≤ 56.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (CID 160516906) is 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is COc1cc2c(cn1)CN(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.CSc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2nc3cc(Cl)ccn3c2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2nc3ccccn3c2=O)o1.
What is the InChIKey of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The InChIKey is QTTVFHPOYPEIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5S.C22H22N6O3S.C21H21N7O4.C19H17ClN8O3.C19H18N8O3/c1-34(31,32)15-3-2-14-13-28(22(30)16(14)10-15)19-12-25-21(33-19)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-32-15-3-2-14-13-28(22(30)16(14)10-15)19-12-25-21(31-19)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-17-8-14-13(9-24-17)12-28(21(14)30)18-11-25-20(32-18)19(29)26-15-10-23-3-2-16(15)27-6-4-22-5-7-27;20-12-2-6-27-15(9-12)25-28(19(27)30)16-11-23-18(31-16)17(29)24-13-10-22-3-1-14(13)26-7-4-21-5-8-26;28-17(23-13-11-21-5-4-14(13)25-9-6-20-7-10-25)18-22-12-16(30-18)27-19(29)26-8-2-1-3-15(26)24-27/h2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-3,8-11,22H,4-7,12H2,1H3,(H,26,29);1-3,6,9-11,21H,4-5,7-8H2,(H,24,29);1-5,8,11-12,20H,6-7,9-10H2,(H,23,28).
What are the key properties of 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide has a molecular weight of 2215.75 g/mol, XLogP of 6.92, 23 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 160516906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).