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

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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).