2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C93H94N28O9S4 — CID 159124958

IUPAC2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1.COc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1OC.COc1cccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)c1.COc1ccccc1-n1cc(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)cn1
InChIInChI=1S/C24H25N7O3S.3C23H23N7O2S/c1-33-21-4-3-17(11-22(21)34-2)31-14-16(12-27-31)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30;1-32-18-4-2-17(3-5-18)30-14-16(12-26-30)23-28-20(15-33-23)22(31)27-19-13-25-7-6-21(19)29-10-8-24-9-11-29;1-32-18-4-2-3-17(11-18)30-14-16(12-26-30)23-28-20(15-33-23)22(31)27-19-13-25-6-5-21(19)29-9-7-24-8-10-29;1-32-21-5-3-2-4-20(21)30-14-16(12-26-30)23-28-18(15-33-23)22(31)27-17-13-25-7-6-19(17)29-10-8-24-9-11-29/h3-6,11-15,25H,7-10H2,1-2H3,(H,28,32);2-7,12-15,24H,8-11H2,1H3,(H,27,31);2-6,11-15,24H,7-10H2,1H3,(H,27,31);2-7,12-15,24H,8-11H2,1H3,(H,27,31)
InChIKeyKGDVVMHABGLBNZ-UHFFFAOYSA-N
MW1876.23 g/mol
LogP12.25
Rot. Bonds25

About 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 159124958) has the molecular formula C93H94N28O9S4 and a molecular weight of 1876.23 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID159124958
Molecular FormulaC93H94N28O9S4
Molecular Weight1876.23 g/mol
Exact Mass1874.66
IUPAC Name2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1.COc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1OC.COc1cccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)c1.COc1ccccc1-n1cc(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)cn1
InChIInChI=1S/C24H25N7O3S.3C23H23N7O2S/c1-33-21-4-3-17(11-22(21)34-2)31-14-16(12-27-31)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30;1-32-18-4-2-17(3-5-18)30-14-16(12-26-30)23-28-20(15-33-23)22(31)27-19-13-25-7-6-21(19)29-10-8-24-9-11-29;1-32-18-4-2-3-17(11-18)30-14-16(12-26-30)23-28-20(15-33-23)22(31)27-19-13-25-6-5-21(19)29-9-7-24-8-10-29;1-32-21-5-3-2-4-20(21)30-14-16(12-26-30)23-28-18(15-33-23)22(31)27-17-13-25-7-6-19(17)29-10-8-24-9-11-29/h3-6,11-15,25H,7-10H2,1-2H3,(H,28,32);2-7,12-15,24H,8-11H2,1H3,(H,27,31);2-6,11-15,24H,7-10H2,1H3,(H,27,31);2-7,12-15,24H,8-11H2,1H3,(H,27,31)
InChIKeyKGDVVMHABGLBNZ-UHFFFAOYSA-N
XLogP12.25
TPSA398.03 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.23
LogP ≤ 512.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Analyze 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 159124958) is 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1.COc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1OC.COc1cccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)c1.COc1ccccc1-n1cc(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)cn1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KGDVVMHABGLBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S.3C23H23N7O2S/c1-33-21-4-3-17(11-22(21)34-2)31-14-16(12-27-31)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30;1-32-18-4-2-17(3-5-18)30-14-16(12-26-30)23-28-20(15-33-23)22(31)27-19-13-25-7-6-21(19)29-10-8-24-9-11-29;1-32-18-4-2-3-17(11-18)30-14-16(12-26-30)23-28-20(15-33-23)22(31)27-19-13-25-6-5-21(19)29-9-7-24-8-10-29;1-32-21-5-3-2-4-20(21)30-14-16(12-26-30)23-28-18(15-33-23)22(31)27-17-13-25-7-6-19(17)29-10-8-24-9-11-29/h3-6,11-15,25H,7-10H2,1-2H3,(H,28,32);2-7,12-15,24H,8-11H2,1H3,(H,27,31);2-6,11-15,24H,7-10H2,1H3,(H,27,31);2-7,12-15,24H,8-11H2,1H3,(H,27,31).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1876.23 g/mol, XLogP of 12.25, 25 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(2-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159124958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).