1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone

C16H16N4O2 — CID 56901295

IUPAC1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(NCCO)nc3[nH]ccc23)nc1
InChIInChI=1S/C16H16N4O2/c1-10(22)11-2-3-14(19-9-11)13-8-15(17-6-7-21)20-16-12(13)4-5-18-16/h2-5,8-9,21H,6-7H2,1H3,(H2,17,18,20)
InChIKeyKEHICRBCPVQQQG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.23
Rot. Bonds5

About 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone

1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone (PubChem CID 56901295) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
PubChem CID56901295
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(NCCO)nc3[nH]ccc23)nc1
InChIInChI=1S/C16H16N4O2/c1-10(22)11-2-3-14(19-9-11)13-8-15(17-6-7-21)20-16-12(13)4-5-18-16/h2-5,8-9,21H,6-7H2,1H3,(H2,17,18,20)
InChIKeyKEHICRBCPVQQQG-UHFFFAOYSA-N
XLogP2.23
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
3-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 56888278
2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
CID 56893138
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798
5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
CID 56901483
4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896945
2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
CID 70772763
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603219
1-[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 56908537
[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
CID 56887832
N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56902926

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone (CID 56901295) is 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2cc(NCCO)nc3[nH]ccc23)nc1.
What is the InChIKey of 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone?
The InChIKey is KEHICRBCPVQQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(22)11-2-3-14(19-9-11)13-8-15(17-6-7-21)20-16-12(13)4-5-18-16/h2-5,8-9,21H,6-7H2,1H3,(H2,17,18,20).
What are the key properties of 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone?
1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone has a molecular weight of 296.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 56901295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).