N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C15H18N4S — CID 28683323

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCc1ccc(CNc2cnc3c(cnn3C(C)C)c2)s1
InChIInChI=1S/C15H18N4S/c1-10(2)19-15-12(7-18-19)6-13(8-17-15)16-9-14-5-4-11(3)20-14/h4-8,10,16H,9H2,1-3H3
InChIKeyCYKLWUAYCZVRCQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.99
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 28683323) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID28683323
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCc1ccc(CNc2cnc3c(cnn3C(C)C)c2)s1
InChIInChI=1S/C15H18N4S/c1-10(2)19-15-12(7-18-19)6-13(8-17-15)16-9-14-5-4-11(3)20-14/h4-8,10,16H,9H2,1-3H3
InChIKeyCYKLWUAYCZVRCQ-UHFFFAOYSA-N
XLogP3.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 43663311
N-(furan-3-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 55161070
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683271
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine
CID 63656201
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28781610
N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683322
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 24516255
N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 62536786
N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 79708149
1-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040136
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 28683323) is N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is Cc1ccc(CNc2cnc3c(cnn3C(C)C)c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is CYKLWUAYCZVRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10(2)19-15-12(7-18-19)6-13(8-17-15)16-9-14-5-4-11(3)20-14/h4-8,10,16H,9H2,1-3H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 286.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 28683323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).