[3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol

C22H27N5O2 — CID 46227801

IUPAC[3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ccn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C22H27N5O2/c28-15-16-2-1-3-17(14-16)20-24-21(26-10-12-29-13-11-26)19-6-9-27(22(19)25-20)18-4-7-23-8-5-18/h1-3,6,9,14,18,23,28H,4-5,7-8,10-13,15H2
InChIKeyIOBPQMXNKOPXNC-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.35
Rot. Bonds4

About [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol

[3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol (PubChem CID 46227801) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
PubChem CID46227801
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ccn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C22H27N5O2/c28-15-16-2-1-3-17(14-16)20-24-21(26-10-12-29-13-11-26)19-6-9-27(22(19)25-20)18-4-7-23-8-5-18/h1-3,6,9,14,18,23,28H,4-5,7-8,10-13,15H2
InChIKeyIOBPQMXNKOPXNC-UHFFFAOYSA-N
XLogP2.35
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
The IUPAC name of [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol (CID 46227801) is [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3ccn(C4CCNCC4)c3n2)c1.
What is the InChIKey of [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
The InChIKey is IOBPQMXNKOPXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-15-16-2-1-3-17(14-16)20-24-21(26-10-12-29-13-11-26)19-6-9-27(22(19)25-20)18-4-7-23-8-5-18/h1-3,6,9,14,18,23,28H,4-5,7-8,10-13,15H2.
What are the key properties of [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
[3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol has a molecular weight of 393.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-morpholin-4-yl-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol is sourced from PubChem (CID 46227801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).