2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole

C19H18N4S — CID 58540964

IUPAC2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
SMILESCCCc1cc(-c2cccnc2)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C19H18N4S/c1-2-4-13-9-15(14-5-3-6-20-12-14)19-16(10-13)17(22-23-19)11-18-21-7-8-24-18/h3,5-10,12H,2,4,11H2,1H3,(H,22,23)
InChIKeyLRJSAWDXUPEFOK-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.62
Rot. Bonds5

About 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole

2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole (PubChem CID 58540964) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
PubChem CID58540964
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
SMILESCCCc1cc(-c2cccnc2)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C19H18N4S/c1-2-4-13-9-15(14-5-3-6-20-12-14)19-16(10-13)17(22-23-19)11-18-21-7-8-24-18/h3,5-10,12H,2,4,11H2,1H3,(H,22,23)
InChIKeyLRJSAWDXUPEFOK-UHFFFAOYSA-N
XLogP4.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25167076
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CID 118959991
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CID 132085886
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CID 711832
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole (CID 58540964) is 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole is CCCc1cc(-c2cccnc2)c2n[nH]c(Cc3nccs3)c2c1.
What is the InChIKey of 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
The InChIKey is LRJSAWDXUPEFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-2-4-13-9-15(14-5-3-6-20-12-14)19-16(10-13)17(22-23-19)11-18-21-7-8-24-18/h3,5-10,12H,2,4,11H2,1H3,(H,22,23).
What are the key properties of 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole has a molecular weight of 334.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 58540964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).