4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C19H13ClN6S — CID 46865512

IUPAC4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2Cl)c(-c2ncn[nH]2)s1
InChIInChI=1S/C19H13ClN6S/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/h2-10H,1H3,(H,21,22,24)
InChIKeyJWBJCQAAAIPDKR-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.87
Rot. Bonds3

About 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 46865512) has the molecular formula C19H13ClN6S and a molecular weight of 392.88 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID46865512
Molecular FormulaC19H13ClN6S
Molecular Weight392.88 g/mol
Exact Mass392.06
IUPAC Name4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2Cl)c(-c2ncn[nH]2)s1
InChIInChI=1S/C19H13ClN6S/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/h2-10H,1H3,(H,21,22,24)
InChIKeyJWBJCQAAAIPDKR-UHFFFAOYSA-N
XLogP4.87
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 46865512) is 4-(2-chlorophenyl)-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 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccccc2Cl)c(-c2ncn[nH]2)s1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is JWBJCQAAAIPDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6S/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/h2-10H,1H3,(H,21,22,24).
What are the key properties of 4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(2-chlorophenyl)-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 392.88 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-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 46865512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).