6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one

C21H17ClN4O2 — CID 166594381

IUPAC6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one
SMILESO=C1CC(c2ccnc3[nH]c(-c4cnco4)cc23)CC(c2ccccc2Cl)N1
InChIInChI=1S/C21H17ClN4O2/c22-16-4-2-1-3-14(16)17-7-12(8-20(27)25-17)13-5-6-24-21-15(13)9-18(26-21)19-10-23-11-28-19/h1-6,9-12,17H,7-8H2,(H,24,26)(H,25,27)
InChIKeyPXKTWFIDILJSMJ-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.61
Rot. Bonds3

About 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one

6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one (PubChem CID 166594381) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one
PubChem CID166594381
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one
SMILESO=C1CC(c2ccnc3[nH]c(-c4cnco4)cc23)CC(c2ccccc2Cl)N1
InChIInChI=1S/C21H17ClN4O2/c22-16-4-2-1-3-14(16)17-7-12(8-20(27)25-17)13-5-6-24-21-15(13)9-18(26-21)19-10-23-11-28-19/h1-6,9-12,17H,7-8H2,(H,24,26)(H,25,27)
InChIKeyPXKTWFIDILJSMJ-UHFFFAOYSA-N
XLogP4.61
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one?
The IUPAC name of 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one (CID 166594381) is 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one?
The canonical SMILES for 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one is O=C1CC(c2ccnc3[nH]c(-c4cnco4)cc23)CC(c2ccccc2Cl)N1.
What is the InChIKey of 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one?
The InChIKey is PXKTWFIDILJSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-16-4-2-1-3-14(16)17-7-12(8-20(27)25-17)13-5-6-24-21-15(13)9-18(26-21)19-10-23-11-28-19/h1-6,9-12,17H,7-8H2,(H,24,26)(H,25,27).
What are the key properties of 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one?
6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one has a molecular weight of 392.85 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-4-[2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-2-one is sourced from PubChem (CID 166594381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).