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

C20H15N7O4S — CID 122650249

IUPACN-(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
SMILESCn1cc(NC(=O)c2csc(-c3cnn(Cc4coc(=O)o4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C20H15N7O4S/c1-26-9-15(17(25-26)14-4-2-3-5-21-14)23-18(28)16-11-32-19(24-16)12-6-22-27(7-12)8-13-10-30-20(29)31-13/h2-7,9-11H,8H2,1H3,(H,23,28)
InChIKeyXDHCDLGPWAWRTD-UHFFFAOYSA-N
MW449.45 g/mol
LogP2.65
Rot. Bonds6

About 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

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 (PubChem CID 122650249) has the molecular formula C20H15N7O4S and a molecular weight of 449.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID122650249
Molecular FormulaC20H15N7O4S
Molecular Weight449.45 g/mol
Exact Mass449.09
IUPAC NameN-(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
SMILESCn1cc(NC(=O)c2csc(-c3cnn(Cc4coc(=O)o4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C20H15N7O4S/c1-26-9-15(17(25-26)14-4-2-3-5-21-14)23-18(28)16-11-32-19(24-16)12-6-22-27(7-12)8-13-10-30-20(29)31-13/h2-7,9-11H,8H2,1H3,(H,23,28)
InChIKeyXDHCDLGPWAWRTD-UHFFFAOYSA-N
XLogP2.65
TPSA133.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methylphosphonous acid
CID 145176662
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
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-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 166221168
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
[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-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638750
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
[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 122638673
formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
CID 158241921

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(NC(=O)c2csc(-c3cnn(Cc4coc(=O)o4)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of 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?
The InChIKey is XDHCDLGPWAWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O4S/c1-26-9-15(17(25-26)14-4-2-3-5-21-14)23-18(28)16-11-32-19(24-16)12-6-22-27(7-12)8-13-10-30-20(29)31-13/h2-7,9-11H,8H2,1H3,(H,23,28).
What are the key properties of 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?
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 has a molecular weight of 449.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122650249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).