3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

C14H15N5O2S — CID 86843310

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCc1[nH]nc2ncc(NC(=O)CCn3c(C)csc3=O)cc12
InChIInChI=1S/C14H15N5O2S/c1-8-7-22-14(21)19(8)4-3-12(20)16-10-5-11-9(2)17-18-13(11)15-6-10/h5-7H,3-4H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyOGENHFWRGVUDNH-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.83
Rot. Bonds4

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 86843310) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID86843310
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCc1[nH]nc2ncc(NC(=O)CCn3c(C)csc3=O)cc12
InChIInChI=1S/C14H15N5O2S/c1-8-7-22-14(21)19(8)4-3-12(20)16-10-5-11-9(2)17-18-13(11)15-6-10/h5-7H,3-4H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyOGENHFWRGVUDNH-UHFFFAOYSA-N
XLogP1.83
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 86843310) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is Cc1[nH]nc2ncc(NC(=O)CCn3c(C)csc3=O)cc12.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is OGENHFWRGVUDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-8-7-22-14(21)19(8)4-3-12(20)16-10-5-11-9(2)17-18-13(11)15-6-10/h5-7H,3-4H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 317.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 86843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).