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

C24H25N7O3S — CID 59332063

IUPAC2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC
InChIInChI=1S/C24H25N7O3S/c1-33-21-4-3-16(11-22(21)34-2)17-12-27-31(14-17)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30/h3-6,11-15,25H,7-10H2,1-2H3,(H,28,32)
InChIKeyFZQJSMBKBYJXKY-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.07
Rot. Bonds7

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

2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332063) has the molecular formula C24H25N7O3S and a molecular weight of 491.58 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332063
Molecular FormulaC24H25N7O3S
Molecular Weight491.58 g/mol
Exact Mass491.17
IUPAC Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC
InChIInChI=1S/C24H25N7O3S/c1-33-21-4-3-16(11-22(21)34-2)17-12-27-31(14-17)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30/h3-6,11-15,25H,7-10H2,1-2H3,(H,28,32)
InChIKeyFZQJSMBKBYJXKY-UHFFFAOYSA-N
XLogP3.07
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332063) is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FZQJSMBKBYJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S/c1-33-21-4-3-16(11-22(21)34-2)17-12-27-31(14-17)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30/h3-6,11-15,25H,7-10H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 491.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).