5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 158977482) has the molecular formula C69H74N18O10S2 and a molecular weight of 1379.60 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name	5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID	158977482
Molecular Formula	C69H74N18O10S2
Molecular Weight	1379.60 g/mol
Exact Mass	1378.53
IUPAC Name	5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
SMILES	C.COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChI	InChI=1S/C24H25N5O4S.C23H23N5O3S.C21H22N8O3.CH4/c1-32-19-11-15-14-29(24(31)16(15)12-20(19)33-2)22-4-3-21(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-31-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-32-14-3-2-13-12-29(20(31)15(13)10-14)21-25-18(26-27-21)19(30)24-16-11-23-5-4-17(16)28-8-6-22-7-9-28;/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,30)(H,25,26,27);1H4
InChIKey	JOOPKNQUPDYZDF-UHFFFAOYSA-N
XLogP	7.62
TPSA	311.20 Å²
H-Bond Donors	7
H-Bond Acceptors	23
Rotatable Bonds	16
Heavy Atoms	99
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1379.60
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Analyze 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The IUPAC name of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (CID 158977482) is 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

What is the SMILES notation for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The canonical SMILES for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is C.COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COc1ccc2c(c1)C(=O)N(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.

What is the InChIKey of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The InChIKey is JOOPKNQUPDYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S.C23H23N5O3S.C21H22N8O3.CH4/c1-32-19-11-15-14-29(24(31)16(15)12-20(19)33-2)22-4-3-21(34-22)23(30)27-17-13-26-6-5-18(17)28-9-7-25-8-10-28;1-31-16-3-2-15-14-28(23(30)17(15)12-16)21-5-4-20(32-21)22(29)26-18-13-25-7-6-19(18)27-10-8-24-9-11-27;1-32-14-3-2-13-12-29(20(31)15(13)10-14)21-25-18(26-27-21)19(30)24-16-11-23-5-4-17(16)28-8-6-22-7-9-28;/h3-6,11-13,25H,7-10,14H2,1-2H3,(H,27,30);2-7,12-13,24H,8-11,14H2,1H3,(H,26,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,30)(H,25,26,27);1H4.

What are the key properties of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

Where does this data come from?

All data for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;methane;5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 158977482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).