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

C19H16N4O2S — CID 127038120

IUPAC4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4ccnc(C(=O)O)c4)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)12-7-8-20-14(9-12)19(24)25/h3,5-10H,2,4H2,1H3,(H,22,23)(H,24,25)
InChIKeyWFWQWEXBORPMHP-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.40
Rot. Bonds5

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

4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 127038120) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID127038120
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESCCCc1cccc2c(-c3cnc(-c4ccnc(C(=O)O)c4)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)12-7-8-20-14(9-12)19(24)25/h3,5-10H,2,4H2,1H3,(H,22,23)(H,24,25)
InChIKeyWFWQWEXBORPMHP-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (CID 127038120) is 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is CCCc1cccc2c(-c3cnc(-c4ccnc(C(=O)O)c4)s3)[nH]nc12.
What is the InChIKey of 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is WFWQWEXBORPMHP-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)12-7-8-20-14(9-12)19(24)25/h3,5-10H,2,4H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
4-[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 4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127038120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).