(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol

C16H17N3O — CID 107862127

IUPAC(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
SMILESOC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1
InChIInChI=1S/C16H17N3O/c20-11-15(12-5-2-1-3-6-12)18-9-13-10-19-16-14(13)7-4-8-17-16/h1-8,10,15,18,20H,9,11H2,(H,17,19)/t15-/m1/s1
InChIKeyFEIRLFKAKMFPBQ-OAHLLOKOSA-N
MW267.33 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol

(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol (PubChem CID 107862127) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
PubChem CID107862127
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
SMILESOC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1
InChIInChI=1S/C16H17N3O/c20-11-15(12-5-2-1-3-6-12)18-9-13-10-19-16-14(13)7-4-8-17-16/h1-8,10,15,18,20H,9,11H2,(H,17,19)/t15-/m1/s1
InChIKeyFEIRLFKAKMFPBQ-OAHLLOKOSA-N
XLogP2.39
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 167829740
3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol
CID 141284210
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
(1S)-1-(3-fluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81364743
(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol
CID 163663204
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?
The IUPAC name of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol (CID 107862127) is (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?
The canonical SMILES for (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol is OC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?
The InChIKey is FEIRLFKAKMFPBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c20-11-15(12-5-2-1-3-6-12)18-9-13-10-19-16-14(13)7-4-8-17-16/h1-8,10,15,18,20H,9,11H2,(H,17,19)/t15-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol is sourced from PubChem (CID 107862127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).