1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C19H21N3O2 — CID 97079135

IUPAC1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@@H]1c1ccco1
InChIInChI=1S/C19H21N3O2/c23-18(12-14-13-21-19-15(14)6-4-9-20-19)22-10-3-1-2-7-16(22)17-8-5-11-24-17/h4-6,8-9,11,13,16H,1-3,7,10,12H2,(H,20,21)/t16-/m1/s1
InChIKeyGNNIKHGLBFRXQA-MRXNPFEDSA-N
MW323.40 g/mol
LogP3.84
Rot. Bonds3

About 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 97079135) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID97079135
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@@H]1c1ccco1
InChIInChI=1S/C19H21N3O2/c23-18(12-14-13-21-19-15(14)6-4-9-20-19)22-10-3-1-2-7-16(22)17-8-5-11-24-17/h4-6,8-9,11,13,16H,1-3,7,10,12H2,(H,20,21)/t16-/m1/s1
InChIKeyGNNIKHGLBFRXQA-MRXNPFEDSA-N
XLogP3.84
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 102553989
1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone
CID 166249951
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
1-(1,2-oxazolidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75504186
1-[3-(furan-2-yl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 139001947
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 128989784
1-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 120949855
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 154703711

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 97079135) is 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is O=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@@H]1c1ccco1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is GNNIKHGLBFRXQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(12-14-13-21-19-15(14)6-4-9-20-19)22-10-3-1-2-7-16(22)17-8-5-11-24-17/h4-6,8-9,11,13,16H,1-3,7,10,12H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 323.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 97079135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).