1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine

C13H16N6S — CID 142912094

IUPAC1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(N)c(-c3nnc(C(C)C)s3)cnc21
InChIInChI=1S/C13H16N6S/c1-4-19-11-8(6-16-19)10(14)9(5-15-11)13-18-17-12(20-13)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyOAEADXQTLOSARC-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.68
Rot. Bonds3

About 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 142912094) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID142912094
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(N)c(-c3nnc(C(C)C)s3)cnc21
InChIInChI=1S/C13H16N6S/c1-4-19-11-8(6-16-19)10(14)9(5-15-11)13-18-17-12(20-13)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyOAEADXQTLOSARC-UHFFFAOYSA-N
XLogP2.68
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine with MolForge

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Related Compounds

2-(4-amino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylacetamide
CID 57153253
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CID 162761081
4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
CID 89190838
5-ethyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
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1-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
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1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 21320510
1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-4-amine
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CID 70427626
1-ethyl-6-phosphanylindazol-4-amine
CID 134187730
1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
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CID 58629427

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 142912094) is 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(N)c(-c3nnc(C(C)C)s3)cnc21.
What is the InChIKey of 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is OAEADXQTLOSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-4-19-11-8(6-16-19)10(14)9(5-15-11)13-18-17-12(20-13)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15).
What are the key properties of 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 142912094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).