2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol

C20H25N5O2 — CID 18792941

IUPAC2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol
SMILESCOc1cccc(-c2cn(C3CCN(CCO)CC3)c3ncnc(N)c23)c1
InChIInChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(11-16)17-12-25(20-18(17)19(21)22-13-23-20)15-5-7-24(8-6-15)9-10-26/h2-4,11-13,15,26H,5-10H2,1H3,(H2,21,22,23)
InChIKeyOVTSFQUFYKJILE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol

2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol (PubChem CID 18792941) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol
PubChem CID18792941
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol
SMILESCOc1cccc(-c2cn(C3CCN(CCO)CC3)c3ncnc(N)c23)c1
InChIInChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(11-16)17-12-25(20-18(17)19(21)22-13-23-20)15-5-7-24(8-6-15)9-10-26/h2-4,11-13,15,26H,5-10H2,1H3,(H2,21,22,23)
InChIKeyOVTSFQUFYKJILE-UHFFFAOYSA-N
XLogP2.32
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol 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 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol (CID 18792941) is 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol is COc1cccc(-c2cn(C3CCN(CCO)CC3)c3ncnc(N)c23)c1.
What is the InChIKey of 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol?
The InChIKey is OVTSFQUFYKJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(11-16)17-12-25(20-18(17)19(21)22-13-23-20)15-5-7-24(8-6-15)9-10-26/h2-4,11-13,15,26H,5-10H2,1H3,(H2,21,22,23).
What are the key properties of 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol?
2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol has a molecular weight of 367.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 18792941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).