N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C26H25N7O3S — CID 122644485

IUPACN-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(C)O)nc4-c4ccccn4)cs3)cn2)cc1
InChIInChI=1S/C26H25N7O3S/c1-17(34)12-33-15-22(24(31-33)21-5-3-4-10-27-21)29-25(35)23-16-37-26(30-23)19-11-28-32(14-19)13-18-6-8-20(36-2)9-7-18/h3-11,14-17,34H,12-13H2,1-2H3,(H,29,35)
InChIKeyIGJNBNMXCJUNTI-UHFFFAOYSA-N
MW515.60 g/mol
LogP3.96
Rot. Bonds9

About N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 122644485) has the molecular formula C26H25N7O3S and a molecular weight of 515.60 g/mol. Its IUPAC name is N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID122644485
Molecular FormulaC26H25N7O3S
Molecular Weight515.60 g/mol
Exact Mass515.17
IUPAC NameN-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(C)O)nc4-c4ccccn4)cs3)cn2)cc1
InChIInChI=1S/C26H25N7O3S/c1-17(34)12-33-15-22(24(31-33)21-5-3-4-10-27-21)29-25(35)23-16-37-26(30-23)19-11-28-32(14-19)13-18-6-8-20(36-2)9-7-18/h3-11,14-17,34H,12-13H2,1-2H3,(H,29,35)
InChIKeyIGJNBNMXCJUNTI-UHFFFAOYSA-N
XLogP3.96
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[1-(dimethylcarbamoyl)-3-pyrimidin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 135237448
[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methylphosphonous acid
CID 145176662
N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638750
tris[[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638481
disodium;[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl phosphate
CID 140749503
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-[1-[(2-oxo-1,3-dioxol-4-yl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 122650249
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
[3-methyl-1-[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 122638604
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 166221168
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 176859767

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 122644485) is N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(C)O)nc4-c4ccccn4)cs3)cn2)cc1.
What is the InChIKey of N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IGJNBNMXCJUNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3S/c1-17(34)12-33-15-22(24(31-33)21-5-3-4-10-27-21)29-25(35)23-16-37-26(30-23)19-11-28-32(14-19)13-18-6-8-20(36-2)9-7-18/h3-11,14-17,34H,12-13H2,1-2H3,(H,29,35).
What are the key properties of N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 515.60 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxypropyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122644485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).