5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one

C16H19BrN2O3 — CID 169030938

IUPAC5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC1(O)CC(N2C(=O)C3(CC3)c3cc(OCCBr)cnc32)C1
InChIInChI=1S/C16H19BrN2O3/c1-15(21)7-10(8-15)19-13-12(16(2-3-16)14(19)20)6-11(9-18-13)22-5-4-17/h6,9-10,21H,2-5,7-8H2,1H3
InChIKeyYPXORGCNPKTXCE-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.15
Rot. Bonds4

About 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one

5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 169030938) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID169030938
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC1(O)CC(N2C(=O)C3(CC3)c3cc(OCCBr)cnc32)C1
InChIInChI=1S/C16H19BrN2O3/c1-15(21)7-10(8-15)19-13-12(16(2-3-16)14(19)20)6-11(9-18-13)22-5-4-17/h6,9-10,21H,2-5,7-8H2,1H3
InChIKeyYPXORGCNPKTXCE-UHFFFAOYSA-N
XLogP2.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(2-Bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-4-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 168998423
5-[[2,6-difluoro-3-(5-fluoro-2-methoxy-2H-pyridin-1-yl)phenyl]methoxy]spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one
CID 176047450
5-cyclopentyloxy-4-ethyl-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
CID 168926397
1-Benzyl-5-(benzyloxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 74892020
Methyl 3-[5-methoxy-1-(3-methoxy-3-oxopropyl)-2-oxo-3-propylpyrrolo[2,3-b]pyridin-3-yl]propanoate
CID 134431991
Methyl 3-[5-methoxy-1,3-bis(3-methoxy-3-oxopropyl)-2-oxopyrrolo[2,3-b]pyridin-3-yl]propanoate
CID 134440041
5'-Hydroxy-1'-(2-trimethylsilylethoxymethyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 153504965
1-(2-Methyl-5-phenylmethoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone
CID 154098064
5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one
CID 168926234
6-(2-Bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168996307
6-Butoxy-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168996335
Ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one
CID 168996342

Frequently Asked Questions

What is the IUPAC name of 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one (CID 169030938) is 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one is CC1(O)CC(N2C(=O)C3(CC3)c3cc(OCCBr)cnc32)C1.
What is the InChIKey of 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is YPXORGCNPKTXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-15(21)7-10(8-15)19-13-12(16(2-3-16)14(19)20)6-11(9-18-13)22-5-4-17/h6,9-10,21H,2-5,7-8H2,1H3.
What are the key properties of 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one?
5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 367.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-bromoethoxy)-1'-(3-hydroxy-3-methylcyclobutyl)spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 169030938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).