4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine

C24H26N6 — CID 42667739

IUPAC4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCC(C)c1ccc(-n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2N)cc1
InChIInChI=1S/C24H26N6/c1-16(2)17-10-12-19(13-11-17)30-22(25)20-21(18-8-4-3-5-9-18)26-24(27-23(20)28-30)29-14-6-7-15-29/h3-5,8-13,16H,6-7,14-15,25H2,1-2H3
InChIKeyFBOJSPWLRYMYBC-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.79
Rot. Bonds4

About 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine

4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667739) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667739
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCC(C)c1ccc(-n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2N)cc1
InChIInChI=1S/C24H26N6/c1-16(2)17-10-12-19(13-11-17)30-22(25)20-21(18-8-4-3-5-9-18)26-24(27-23(20)28-30)29-14-6-7-15-29/h3-5,8-13,16H,6-7,14-15,25H2,1-2H3
InChIKeyFBOJSPWLRYMYBC-UHFFFAOYSA-N
XLogP4.79
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42667739) is 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is CC(C)c1ccc(-n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2N)cc1.
What is the InChIKey of 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is FBOJSPWLRYMYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-16(2)17-10-12-19(13-11-17)30-22(25)20-21(18-8-4-3-5-9-18)26-24(27-23(20)28-30)29-14-6-7-15-29/h3-5,8-13,16H,6-7,14-15,25H2,1-2H3.
What are the key properties of 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 398.51 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).