[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone

C21H16ClFN2O2 — CID 67570653

IUPAC[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CNc3ncc(-c4ccc(Cl)cc4)cc32)c1F
InChIInChI=1S/C21H16ClFN2O2/c1-27-18-4-2-3-15(19(18)23)20(26)17-11-25-21-16(17)9-13(10-24-21)12-5-7-14(22)8-6-12/h2-10,17H,11H2,1H3,(H,24,25)
InChIKeyWTILDFRVVJIZQV-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.94
Rot. Bonds4

About [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone

[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 67570653) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID67570653
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CNc3ncc(-c4ccc(Cl)cc4)cc32)c1F
InChIInChI=1S/C21H16ClFN2O2/c1-27-18-4-2-3-15(19(18)23)20(26)17-11-25-21-16(17)9-13(10-24-21)12-5-7-14(22)8-6-12/h2-10,17H,11H2,1H3,(H,24,25)
InChIKeyWTILDFRVVJIZQV-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82807772
(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
CID 70673533
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549807
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
CID 67571288
[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 58086573
(2-fluoro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methanone
CID 105123706
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone (CID 67570653) is [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CNc3ncc(-c4ccc(Cl)cc4)cc32)c1F.
What is the InChIKey of [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is WTILDFRVVJIZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c1-27-18-4-2-3-15(19(18)23)20(26)17-11-25-21-16(17)9-13(10-24-21)12-5-7-14(22)8-6-12/h2-10,17H,11H2,1H3,(H,24,25).
What are the key properties of [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone?
[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 382.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 67570653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).