(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol

C12H17N3O — CID 103789032

IUPAC(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1c[nH]c2ncccc12
InChIInChI=1S/C12H17N3O/c1-8(7-16)15-9(2)11-6-14-12-10(11)4-3-5-13-12/h3-6,8-9,15-16H,7H2,1-2H3,(H,13,14)/t8-,9?/m0/s1
InChIKeyVOTYATGVBZHMEL-IENPIDJESA-N
MW219.29 g/mol
LogP1.59
Rot. Bonds4

About (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol

(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol (PubChem CID 103789032) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
PubChem CID103789032
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1c[nH]c2ncccc12
InChIInChI=1S/C12H17N3O/c1-8(7-16)15-9(2)11-6-14-12-10(11)4-3-5-13-12/h3-6,8-9,15-16H,7H2,1-2H3,(H,13,14)/t8-,9?/m0/s1
InChIKeyVOTYATGVBZHMEL-IENPIDJESA-N
XLogP1.59
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
4-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-2-one
CID 11594145
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
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
N-methyl-4-oxo-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butanamide
CID 143801841
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol (CID 103789032) is (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol is CC(N[C@@H](C)CO)c1c[nH]c2ncccc12.
What is the InChIKey of (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol?
The InChIKey is VOTYATGVBZHMEL-IENPIDJESA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(7-16)15-9(2)11-6-14-12-10(11)4-3-5-13-12/h3-6,8-9,15-16H,7H2,1-2H3,(H,13,14)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol?
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 103789032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).