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

C15H13FN4S — CID 82587759

IUPAC2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1cccc(-c2nn(-c3nccs3)c3c2CNCC3)c1
InChIInChI=1S/C15H13FN4S/c16-11-3-1-2-10(8-11)14-12-9-17-5-4-13(12)20(19-14)15-18-6-7-21-15/h1-3,6-8,17H,4-5,9H2
InChIKeyGIMJTHVVUNDFKU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.78
Rot. Bonds2

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

2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82587759) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82587759
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1cccc(-c2nn(-c3nccs3)c3c2CNCC3)c1
InChIInChI=1S/C15H13FN4S/c16-11-3-1-2-10(8-11)14-12-9-17-5-4-13(12)20(19-14)15-18-6-7-21-15/h1-3,6-8,17H,4-5,9H2
InChIKeyGIMJTHVVUNDFKU-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.78
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
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
6-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448082
6-(1-(3-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448083
6-(1-(2-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448084
2-[1-[1-(4-Fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589206
N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70691184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82587759) is 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is Fc1cccc(-c2nn(-c3nccs3)c3c2CNCC3)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is GIMJTHVVUNDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c16-11-3-1-2-10(8-11)14-12-9-17-5-4-13(12)20(19-14)15-18-6-7-21-15/h1-3,6-8,17H,4-5,9H2.
What are the key properties of 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole has a molecular weight of 300.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82587759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).