4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one

C17H15ClN2O — CID 11716366

IUPAC4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C17H15ClN2O/c1-11(21)9-13(12-5-3-2-4-6-12)14-10-20-17-16(14)15(18)7-8-19-17/h2-8,10,13H,9H2,1H3,(H,19,20)
InChIKeyGLNZXBMOZIDWRI-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.33
Rot. Bonds4

About 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one

4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one (PubChem CID 11716366) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one
PubChem CID11716366
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C17H15ClN2O/c1-11(21)9-13(12-5-3-2-4-6-12)14-10-20-17-16(14)15(18)7-8-19-17/h2-8,10,13H,9H2,1H3,(H,19,20)
InChIKeyGLNZXBMOZIDWRI-UHFFFAOYSA-N
XLogP4.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 46870040
4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 132451818
3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
CID 10001523
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
CID 11521534
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 24856835
2-(4-chlorophenyl)-2-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 25265683
(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42603038
[1-(4-chlorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42603076
5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 45483928
(R)-1-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-2-amino-3-(4-chlorophenyl)propan-1-one
CID 46945661
(S)-3-amino-2-(4-chlorobenzyl)-1-(4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 52941556

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one?
The IUPAC name of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one (CID 11716366) is 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one?
The canonical SMILES for 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one?
The InChIKey is GLNZXBMOZIDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(21)9-13(12-5-3-2-4-6-12)14-10-20-17-16(14)15(18)7-8-19-17/h2-8,10,13H,9H2,1H3,(H,19,20).
What are the key properties of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one?
4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one has a molecular weight of 298.77 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 11716366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).