acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C21H17FN6O2S — CID 66855389

IUPACacetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCC(=O)O.Cc1nn2ccccc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1
InChIInChI=1S/C19H13FN6S.C2H4O2/c1-11-15(14-8-4-5-9-26(14)25-11)19-23-16(12-6-2-3-7-13(12)20)17(27-19)18-21-10-22-24-18;1-2(3)4/h2-10H,1H3,(H,21,22,24);1H3,(H,3,4)
InChIKeyJNNZXOQNXJREDT-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.45
Rot. Bonds3

About acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 66855389) has the molecular formula C21H17FN6O2S and a molecular weight of 436.47 g/mol. Its IUPAC name is acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Nameacetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID66855389
Molecular FormulaC21H17FN6O2S
Molecular Weight436.47 g/mol
Exact Mass436.11
IUPAC Nameacetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCC(=O)O.Cc1nn2ccccc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1
InChIInChI=1S/C19H13FN6S.C2H4O2/c1-11-15(14-8-4-5-9-26(14)25-11)19-23-16(12-6-2-3-7-13(12)20)17(27-19)18-21-10-22-24-18;1-2(3)4/h2-10H,1H3,(H,21,22,24);1H3,(H,3,4)
InChIKeyJNNZXOQNXJREDT-UHFFFAOYSA-N
XLogP4.45
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095010
4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 58095101
4-(2-fluorophenyl)-5-(4H-imidazol-5-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole
CID 58095190
N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
CID 91554596
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 46865517
4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine
CID 70865265
1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone
CID 58095278
4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
CID 58095192
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 46865633

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 66855389) is acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is CC(=O)O.Cc1nn2ccccc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1.
What is the InChIKey of acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is JNNZXOQNXJREDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6S.C2H4O2/c1-11-15(14-8-4-5-9-26(14)25-11)19-23-16(12-6-2-3-7-13(12)20)17(27-19)18-21-10-22-24-18;1-2(3)4/h2-10H,1H3,(H,21,22,24);1H3,(H,3,4).
What are the key properties of acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 436.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 66855389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).