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

C20H18N4O3S — CID 127038121

IUPAC3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(OC)c4)s3)[nH]nc12
InChIInChI=1S/C20H18N4O3S/c1-3-5-11-6-4-7-13-16(11)23-24-17(13)15-10-22-19(28-15)12-8-14(27-2)18(20(25)26)21-9-12/h4,6-10H,3,5H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDSTOHRSLJZGAHL-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.41
Rot. Bonds6

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

3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 127038121) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID127038121
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(OC)c4)s3)[nH]nc12
InChIInChI=1S/C20H18N4O3S/c1-3-5-11-6-4-7-13-16(11)23-24-17(13)15-10-22-19(28-15)12-8-14(27-2)18(20(25)26)21-9-12/h4,6-10H,3,5H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDSTOHRSLJZGAHL-UHFFFAOYSA-N
XLogP4.41
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (CID 127038121) is 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-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(OC)c4)s3)[nH]nc12.
What is the InChIKey of 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is DSTOHRSLJZGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-3-5-11-6-4-7-13-16(11)23-24-17(13)15-10-22-19(28-15)12-8-14(27-2)18(20(25)26)21-9-12/h4,6-10H,3,5H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 394.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127038121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).