2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole

C19H18N4S — CID 58540835

IUPAC2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
SMILESCCCc1cc(-c2ccncc2)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C19H18N4S/c1-2-3-13-10-15(14-4-6-20-7-5-14)19-16(11-13)17(22-23-19)12-18-21-8-9-24-18/h4-11H,2-3,12H2,1H3,(H,22,23)
InChIKeyDUSNYPNCCAAOBQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.62
Rot. Bonds5

About 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole

2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole (PubChem CID 58540835) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
PubChem CID58540835
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
SMILESCCCc1cc(-c2ccncc2)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C19H18N4S/c1-2-3-13-10-15(14-4-6-20-7-5-14)19-16(11-13)17(22-23-19)12-18-21-8-9-24-18/h4-11H,2-3,12H2,1H3,(H,22,23)
InChIKeyDUSNYPNCCAAOBQ-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

Camalexin
CID 636970
5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
US11608337, Example 40
CID 132085886
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
CID 711832
5-methyl-N-[3-[methyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
CID 22980673

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole (CID 58540835) is 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole is CCCc1cc(-c2ccncc2)c2n[nH]c(Cc3nccs3)c2c1.
What is the InChIKey of 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
The InChIKey is DUSNYPNCCAAOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-2-3-13-10-15(14-4-6-20-7-5-14)19-16(11-13)17(22-23-19)12-18-21-8-9-24-18/h4-11H,2-3,12H2,1H3,(H,22,23).
What are the key properties of 2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole?
2-[(5-propyl-7-pyridin-4-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-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 58540835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).