3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol

C21H25N5O2 — CID 42632991

IUPAC3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCNCC4)c3n2)c1
InChIInChI=1S/C21H25N5O2/c27-16-3-1-2-15(12-16)20-24-18-17(14-4-6-22-7-5-14)13-23-19(18)21(25-20)26-8-10-28-11-9-26/h1-3,12-14,22-23,27H,4-11H2
InChIKeyAXBOUXRBOUYXCZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.63
Rot. Bonds3

About 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol

3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 42632991) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
PubChem CID42632991
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCNCC4)c3n2)c1
InChIInChI=1S/C21H25N5O2/c27-16-3-1-2-15(12-16)20-24-18-17(14-4-6-22-7-5-14)13-23-19(18)21(25-20)26-8-10-28-11-9-26/h1-3,12-14,22-23,27H,4-11H2
InChIKeyAXBOUXRBOUYXCZ-UHFFFAOYSA-N
XLogP2.63
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol 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-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol (CID 42632991) is 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCNCC4)c3n2)c1.
What is the InChIKey of 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is AXBOUXRBOUYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-16-3-1-2-15(12-16)20-24-18-17(14-4-6-22-7-5-14)13-23-19(18)21(25-20)26-8-10-28-11-9-26/h1-3,12-14,22-23,27H,4-11H2.
What are the key properties of 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 379.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 42632991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).