4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole

C20H14N6S — CID 123454399

IUPAC4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2cnn(-c3ccccn3)c2n1
InChIInChI=1S/C20H14N6S/c1-13-18(27-20(24-13)15-5-4-9-21-11-15)16-8-7-14-12-23-26(19(14)25-16)17-6-2-3-10-22-17/h2-12H,1H3
InChIKeyKLFZIOVYQKXPHY-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.31
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole

4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole (PubChem CID 123454399) has the molecular formula C20H14N6S and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole
PubChem CID123454399
Molecular FormulaC20H14N6S
Molecular Weight370.44 g/mol
Exact Mass370.10
IUPAC Name4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2cnn(-c3ccccn3)c2n1
InChIInChI=1S/C20H14N6S/c1-13-18(27-20(24-13)15-5-4-9-21-11-15)16-8-7-14-12-23-26(19(14)25-16)17-6-2-3-10-22-17/h2-12H,1H3
InChIKeyKLFZIOVYQKXPHY-UHFFFAOYSA-N
XLogP4.31
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole (CID 123454399) is 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccc2cnn(-c3ccccn3)c2n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole?
The InChIKey is KLFZIOVYQKXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6S/c1-13-18(27-20(24-13)15-5-4-9-21-11-15)16-8-7-14-12-23-26(19(14)25-16)17-6-2-3-10-22-17/h2-12H,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole has a molecular weight of 370.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole is sourced from PubChem (CID 123454399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).