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

C19H16N4O3S — CID 127038464

IUPAC3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(O)c4)s3)[nH]nc12
InChIInChI=1S/C19H16N4O3S/c1-2-4-10-5-3-6-12-15(10)22-23-16(12)14-9-21-18(27-14)11-7-13(24)17(19(25)26)20-8-11/h3,5-9,24H,2,4H2,1H3,(H,22,23)(H,25,26)
InChIKeyWJDBOBHNPJXMAD-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.10
Rot. Bonds5

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

3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 127038464) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID127038464
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(O)c4)s3)[nH]nc12
InChIInChI=1S/C19H16N4O3S/c1-2-4-10-5-3-6-12-15(10)22-23-16(12)14-9-21-18(27-14)11-7-13(24)17(19(25)26)20-8-11/h3,5-9,24H,2,4H2,1H3,(H,22,23)(H,25,26)
InChIKeyWJDBOBHNPJXMAD-UHFFFAOYSA-N
XLogP4.10
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (CID 127038464) is 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is CCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(O)c4)s3)[nH]nc12.
What is the InChIKey of 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is WJDBOBHNPJXMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-4-10-5-3-6-12-15(10)22-23-16(12)14-9-21-18(27-14)11-7-13(24)17(19(25)26)20-8-11/h3,5-9,24H,2,4H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 380.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127038464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).