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

C20H18N4O2S — CID 127038727

IUPAC4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)cc4C)s3)[nH]nc12
InChIInChI=1S/C20H18N4O2S/c1-3-5-12-6-4-7-13-17(12)23-24-18(13)16-10-22-19(27-16)14-9-21-15(20(25)26)8-11(14)2/h4,6-10H,3,5H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyYNICTVRWIBIRBP-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.71
Rot. Bonds5

About 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid

4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 127038727) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID127038727
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)cc4C)s3)[nH]nc12
InChIInChI=1S/C20H18N4O2S/c1-3-5-12-6-4-7-13-17(12)23-24-18(13)16-10-22-19(27-16)14-9-21-15(20(25)26)8-11(14)2/h4,6-10H,3,5H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyYNICTVRWIBIRBP-UHFFFAOYSA-N
XLogP4.71
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (CID 127038727) is 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is CCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)cc4C)s3)[nH]nc12.
What is the InChIKey of 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is YNICTVRWIBIRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-5-12-6-4-7-13-17(12)23-24-18(13)16-10-22-19(27-16)14-9-21-15(20(25)26)8-11(14)2/h4,6-10H,3,5H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 378.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127038727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).