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

C22H24N4O — CID 166594377

IUPAC6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one
SMILESO=C1CC(c2ccnc3[nH]ccc23)CC(N2CCCC2c2ccccc2)N1
InChIInChI=1S/C22H24N4O/c27-21-14-16(17-8-10-23-22-18(17)9-11-24-22)13-20(25-21)26-12-4-7-19(26)15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19-20H,4,7,12-14H2,(H,23,24)(H,25,27)
InChIKeyZYXXKYHNOSYDTE-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.72
Rot. Bonds3

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

6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one (PubChem CID 166594377) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one
PubChem CID166594377
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one
SMILESO=C1CC(c2ccnc3[nH]ccc23)CC(N2CCCC2c2ccccc2)N1
InChIInChI=1S/C22H24N4O/c27-21-14-16(17-8-10-23-22-18(17)9-11-24-22)13-20(25-21)26-12-4-7-19(26)15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19-20H,4,7,12-14H2,(H,23,24)(H,25,27)
InChIKeyZYXXKYHNOSYDTE-UHFFFAOYSA-N
XLogP3.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one?
The IUPAC name of 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one (CID 166594377) is 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one.
What is the SMILES notation for 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one?
The canonical SMILES for 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one is O=C1CC(c2ccnc3[nH]ccc23)CC(N2CCCC2c2ccccc2)N1.
What is the InChIKey of 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one?
The InChIKey is ZYXXKYHNOSYDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-21-14-16(17-8-10-23-22-18(17)9-11-24-22)13-20(25-21)26-12-4-7-19(26)15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19-20H,4,7,12-14H2,(H,23,24)(H,25,27).
What are the key properties of 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one?
6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-2-one is sourced from PubChem (CID 166594377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).