N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C13H14N6OS — CID 16581596

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1
InChIInChI=1S/C13H14N6OS/c1-7(2)19-11-9(6-15-19)4-10(5-14-11)12(20)16-13-18-17-8(3)21-13/h4-7H,1-3H3,(H,16,18,20)
InChIKeyIZMMEPNMGVCKHD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.42
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581596) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581596
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1
InChIInChI=1S/C13H14N6OS/c1-7(2)19-11-9(6-15-19)4-10(5-14-11)12(20)16-13-18-17-8(3)21-13/h4-7H,1-3H3,(H,16,18,20)
InChIKeyIZMMEPNMGVCKHD-UHFFFAOYSA-N
XLogP2.42
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581596) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IZMMEPNMGVCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-7(2)19-11-9(6-15-19)4-10(5-14-11)12(20)16-13-18-17-8(3)21-13/h4-7H,1-3H3,(H,16,18,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).