5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine

C23H23N5O — CID 59740973

IUPAC5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1C(c1ccc(Oc3ccccc3)cc1)=NC2C1CCCNC1
InChIInChI=1S/C23H23N5O/c24-23-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)28-21(22(19)26-14-27-23)16-5-4-12-25-13-16/h1-3,6-11,14,16,21,25H,4-5,12-13H2,(H2,24,26,27)
InChIKeyNZJAHVHAQCSUMU-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.74
Rot. Bonds4

About 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine

5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 59740973) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID59740973
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1C(c1ccc(Oc3ccccc3)cc1)=NC2C1CCCNC1
InChIInChI=1S/C23H23N5O/c24-23-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)28-21(22(19)26-14-27-23)16-5-4-12-25-13-16/h1-3,6-11,14,16,21,25H,4-5,12-13H2,(H2,24,26,27)
InChIKeyNZJAHVHAQCSUMU-UHFFFAOYSA-N
XLogP3.74
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 59740973) is 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1C(c1ccc(Oc3ccccc3)cc1)=NC2C1CCCNC1.
What is the InChIKey of 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NZJAHVHAQCSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-23-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)28-21(22(19)26-14-27-23)16-5-4-12-25-13-16/h1-3,6-11,14,16,21,25H,4-5,12-13H2,(H2,24,26,27).
What are the key properties of 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59740973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).