2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole

C15H12F2N4S — CID 82588063

IUPAC2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)cc1F
InChIInChI=1S/C15H12F2N4S/c16-11-2-1-9(7-12(11)17)14-10-8-18-4-3-13(10)21(20-14)15-19-5-6-22-15/h1-2,5-7,18H,3-4,8H2
InChIKeyKUCUWPQRASQWFE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.92
Rot. Bonds2

About 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole

2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82588063) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82588063
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)cc1F
InChIInChI=1S/C15H12F2N4S/c16-11-2-1-9(7-12(11)17)14-10-8-18-4-3-13(10)21(20-14)15-19-5-6-22-15/h1-2,5-7,18H,3-4,8H2
InChIKeyKUCUWPQRASQWFE-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
(S)-N1-(5-(1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880371
5-(2-amino-6-(2-fluorophenyl)pyrimidin-4-yl)-N-propylthiazol-2-amine
CID 52948100
5-(6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52948967
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048
2-[1-[1-(4-Fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589206
2-[4-(4-Methyl-3-pyridinyl)indazol-1-yl]-1,3-thiazole
CID 127031981
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 155517212
N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155533686

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82588063) is 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is Fc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)cc1F.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is KUCUWPQRASQWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c16-11-2-1-9(7-12(11)17)14-10-8-18-4-3-13(10)21(20-14)15-19-5-6-22-15/h1-2,5-7,18H,3-4,8H2.
What are the key properties of 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole has a molecular weight of 318.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82588063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).