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

C23H25N5O — CID 121334799

IUPAC2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol
SMILESNc1ncnc2c1c(-c1ccc3ccccc3c1)cn2C1CCN(CCO)CC1
InChIInChI=1S/C23H25N5O/c24-22-21-20(18-6-5-16-3-1-2-4-17(16)13-18)14-28(23(21)26-15-25-22)19-7-9-27(10-8-19)11-12-29/h1-6,13-15,19,29H,7-12H2,(H2,24,25,26)
InChIKeyKOLHJBIPGBHPFL-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.46
Rot. Bonds4

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

2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol (PubChem CID 121334799) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol
PubChem CID121334799
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol
SMILESNc1ncnc2c1c(-c1ccc3ccccc3c1)cn2C1CCN(CCO)CC1
InChIInChI=1S/C23H25N5O/c24-22-21-20(18-6-5-16-3-1-2-4-17(16)13-18)14-28(23(21)26-15-25-22)19-7-9-27(10-8-19)11-12-29/h1-6,13-15,19,29H,7-12H2,(H2,24,25,26)
InChIKeyKOLHJBIPGBHPFL-UHFFFAOYSA-N
XLogP3.46
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol with MolForge

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Related Compounds

3-[4-amino-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 18792861
4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 18792918
7-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792910
2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 75292902
(2R,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 70837587
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
[1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanol
CID 22736412
7-[(3S)-1-[[(2S)-oxiran-2-yl]methyl]pyrrolidin-3-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155558571
3-[4-amino-7-[1-[2-(2-methoxyethylamino)ethyl]piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 58741125
7-[1-(1-methylpiperidin-3-yl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857198
7-[3-(4-methylpiperazin-1-yl)cyclopentyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 10234440
4-[4-amino-5-(2-phenoxyquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxamide
CID 66675812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol (CID 121334799) is 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol is Nc1ncnc2c1c(-c1ccc3ccccc3c1)cn2C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol?
The InChIKey is KOLHJBIPGBHPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c24-22-21-20(18-6-5-16-3-1-2-4-17(16)13-18)14-28(23(21)26-15-25-22)19-7-9-27(10-8-19)11-12-29/h1-6,13-15,19,29H,7-12H2,(H2,24,25,26).
What are the key properties of 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol?
2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol has a molecular weight of 387.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 121334799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).