5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid

C19H16N4O2S — CID 127038452

IUPAC5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)[nH]nc12
InChIInChI=1S/C19H16N4O2S/c1-2-4-11-5-3-6-13-16(11)22-23-17(13)15-10-21-18(26-15)12-7-8-14(19(24)25)20-9-12/h3,5-10H,2,4H2,1H3,(H,22,23)(H,24,25)
InChIKeyBNCUFRNKLJOHOZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.40
Rot. Bonds5

About 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid

5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 127038452) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID127038452
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)[nH]nc12
InChIInChI=1S/C19H16N4O2S/c1-2-4-11-5-3-6-13-16(11)22-23-17(13)15-10-21-18(26-15)12-7-8-14(19(24)25)20-9-12/h3,5-10H,2,4H2,1H3,(H,22,23)(H,24,25)
InChIKeyBNCUFRNKLJOHOZ-UHFFFAOYSA-N
XLogP4.40
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-5-[5-(6-Hydroxy-7-Propyl-2h-Indazol-3-Yl)-1,3-Thiazol-2-Yl]pyridine-2-Carboxylic Acid
CID 135567073
5-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]methyl-methylamino]-1H-indazole-3-carboxylic acid
CID 156155261
Ethyl 5-[4-phenyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylate
CID 46889159
[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl dihydrogen phosphate
CID 127037998
2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid
CID 127038119
4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038120
3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038121
methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
CID 127038453
2-fluoro-4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]benzoic acid
CID 127038463
3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038464
4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038727
N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127038828

Frequently Asked Questions

What is the IUPAC name of 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (CID 127038452) is 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)[nH]nc12.
What is the InChIKey of 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is BNCUFRNKLJOHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-4-11-5-3-6-13-16(11)22-23-17(13)15-10-21-18(26-15)12-7-8-14(19(24)25)20-9-12/h3,5-10H,2,4H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 364.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127038452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).