1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one

C23H17ClN2O2 — CID 58086102

IUPAC1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2ccnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c23)c1
InChIInChI=1S/C23H17ClN2O2/c1-14(27)11-15-3-2-4-17(12-15)19-9-10-25-23-21(19)20(13-26-23)22(28)16-5-7-18(24)8-6-16/h2-10,12-13H,11H2,1H3,(H,25,26)
InChIKeyMEUGOCIMURBULY-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.25
Rot. Bonds5

About 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one

1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one (PubChem CID 58086102) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one
PubChem CID58086102
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2ccnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c23)c1
InChIInChI=1S/C23H17ClN2O2/c1-14(27)11-15-3-2-4-17(12-15)19-9-10-25-23-21(19)20(13-26-23)22(28)16-5-7-18(24)8-6-16/h2-10,12-13H,11H2,1H3,(H,25,26)
InChIKeyMEUGOCIMURBULY-UHFFFAOYSA-N
XLogP5.25
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-[3-(methylsulfanylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384757
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-ethylphenyl)methanone
CID 115512719
(3-methoxyphenyl)-[4-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143071850
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
CID 11348729
3-[3-[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]prop-2-enoic acid
CID 67006154
N-[3-[3-(2,3-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanesulfinamide
CID 143071890
(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384660
(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143385108
(4-chloro-3-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107998394
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
(5-chloro-2-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512689
4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 143384981

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one (CID 58086102) is 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one is CC(=O)Cc1cccc(-c2ccnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c23)c1.
What is the InChIKey of 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one?
The InChIKey is MEUGOCIMURBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-14(27)11-15-3-2-4-17(12-15)19-9-10-25-23-21(19)20(13-26-23)22(28)16-5-7-18(24)8-6-16/h2-10,12-13H,11H2,1H3,(H,25,26).
What are the key properties of 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one?
1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one has a molecular weight of 388.85 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one is sourced from PubChem (CID 58086102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).