4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine

C25H26N4 — CID 44515473

IUPAC4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C25H26N4/c1-15(2)16-7-10-18(11-8-16)21-14-22(27-25-23(21)24(26)28-29-25)20-12-9-17-5-3-4-6-19(17)13-20/h7-15H,3-6H2,1-2H3,(H3,26,27,28,29)
InChIKeySKZRRXMXTGIDOK-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.88
Rot. Bonds3

About 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine

4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 44515473) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID44515473
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C25H26N4/c1-15(2)16-7-10-18(11-8-16)21-14-22(27-25-23(21)24(26)28-29-25)20-12-9-17-5-3-4-6-19(17)13-20/h7-15H,3-6H2,1-2H3,(H3,26,27,28,29)
InChIKeySKZRRXMXTGIDOK-UHFFFAOYSA-N
XLogP5.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 44515473) is 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine is CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc3n[nH]c(N)c23)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is SKZRRXMXTGIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-15(2)16-7-10-18(11-8-16)21-14-22(27-25-23(21)24(26)28-29-25)20-12-9-17-5-3-4-6-19(17)13-20/h7-15H,3-6H2,1-2H3,(H3,26,27,28,29).
What are the key properties of 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 382.51 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 44515473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).