2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

C22H23N7O2S — CID 140749483

IUPAC2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCOC1CC(n2cc(-n3cc(-c4nc(C(N)=O)cs4)c(C)n3)c(-c3ccccn3)n2)C1
InChIInChI=1S/C22H23N7O2S/c1-3-31-15-8-14(9-15)28-11-19(20(27-28)17-6-4-5-7-24-17)29-10-16(13(2)26-29)22-25-18(12-32-22)21(23)30/h4-7,10-12,14-15H,3,8-9H2,1-2H3,(H2,23,30)
InChIKeyZNFQKQZVTWIGTP-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.40
Rot. Bonds7

About 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 140749483) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID140749483
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC Name2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCOC1CC(n2cc(-n3cc(-c4nc(C(N)=O)cs4)c(C)n3)c(-c3ccccn3)n2)C1
InChIInChI=1S/C22H23N7O2S/c1-3-31-15-8-14(9-15)28-11-19(20(27-28)17-6-4-5-7-24-17)29-10-16(13(2)26-29)22-25-18(12-32-22)21(23)30/h4-7,10-12,14-15H,3,8-9H2,1-2H3,(H2,23,30)
InChIKeyZNFQKQZVTWIGTP-UHFFFAOYSA-N
XLogP3.40
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-[1-(3-ethoxycyclobutyl)-3-(4-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 140749446
azane;[4-[4-[[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl] methyl hydrogen phosphate
CID 175199920
bis(N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);formic acid;bis(N-[1-(4-hydroxycyclohexyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide)
CID 167610079
N-[1-[(1S,3R)-3-ethoxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid
CID 122638764
N-[1-(3-ethoxycyclobutyl)-3-(4-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-(6-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis(N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);formic acid
CID 158944481
bis(N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);formic acid;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide)
CID 161077817
bis(2,6-diaminohexanoic acid);[4-[4-[[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 175731608
N-[1-(3-ethoxycyclobutyl)-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638795
bis((5-amino-5-carboxypentyl)azanium);bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol;bis([4-[4-[[2-(3-ethoxycyclobutyl)-5-pyridin-2-yl-1H-pyrazol-2-ium-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate);bis([4-[4-[[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate)
CID 160685505
N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 160935776
[4-[4-[[1-(3-ethoxycyclobutyl)-3-(6-fluoro-2-pyridinyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphite
CID 145176643
N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(5-methyl-1H-pyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 158122369

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 140749483) is 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is CCOC1CC(n2cc(-n3cc(-c4nc(C(N)=O)cs4)c(C)n3)c(-c3ccccn3)n2)C1.
What is the InChIKey of 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZNFQKQZVTWIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-3-31-15-8-14(9-15)28-11-19(20(27-28)17-6-4-5-7-24-17)29-10-16(13(2)26-29)22-25-18(12-32-22)21(23)30/h4-7,10-12,14-15H,3,8-9H2,1-2H3,(H2,23,30).
What are the key properties of 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 140749483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).