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

C20H18N4O2S — CID 127038119

IUPAC2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(CC(=O)O)nc4)s3)[nH]nc12
InChIInChI=1S/C20H18N4O2S/c1-2-4-12-5-3-6-15-18(12)23-24-19(15)16-11-22-20(27-16)13-7-8-14(21-10-13)9-17(25)26/h3,5-8,10-11H,2,4,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyKMPGOGCULCADRV-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.33
Rot. Bonds6

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

2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid (PubChem CID 127038119) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid
PubChem CID127038119
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(CC(=O)O)nc4)s3)[nH]nc12
InChIInChI=1S/C20H18N4O2S/c1-2-4-12-5-3-6-15-18(12)23-24-19(15)16-11-22-20(27-16)13-7-8-14(21-10-13)9-17(25)26/h3,5-8,10-11H,2,4,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyKMPGOGCULCADRV-UHFFFAOYSA-N
XLogP4.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid (CID 127038119) is 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid is CCCc1cccc2c(-c3cnc(-c4ccc(CC(=O)O)nc4)s3)[nH]nc12.
What is the InChIKey of 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid?
The InChIKey is KMPGOGCULCADRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-4-12-5-3-6-15-18(12)23-24-19(15)16-11-22-20(27-16)13-7-8-14(21-10-13)9-17(25)26/h3,5-8,10-11H,2,4,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid?
2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid has a molecular weight of 378.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 127038119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).