5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one

C27H35N5O2 — CID 163196243

IUPAC5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N5CCCCC5)CC4)cc23)ccc1=O
InChIInChI=1S/C27H35N5O2/c1-19(2)32-17-21(6-7-25(32)33)22-8-11-28-27-23(22)16-24(29-27)20-9-14-30(15-10-20)18-26(34)31-12-4-3-5-13-31/h6-8,11,16-17,19-20H,3-5,9-10,12-15,18H2,1-2H3,(H,28,29)
InChIKeyGLYHKPNATCXTDU-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.16
Rot. Bonds5

About 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one

5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 163196243) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID163196243
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N5CCCCC5)CC4)cc23)ccc1=O
InChIInChI=1S/C27H35N5O2/c1-19(2)32-17-21(6-7-25(32)33)22-8-11-28-27-23(22)16-24(29-27)20-9-14-30(15-10-20)18-26(34)31-12-4-3-5-13-31/h6-8,11,16-17,19-20H,3-5,9-10,12-15,18H2,1-2H3,(H,28,29)
InChIKeyGLYHKPNATCXTDU-UHFFFAOYSA-N
XLogP4.16
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one (CID 163196243) is 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N5CCCCC5)CC4)cc23)ccc1=O.
What is the InChIKey of 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is GLYHKPNATCXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-19(2)32-17-21(6-7-25(32)33)22-8-11-28-27-23(22)16-24(29-27)20-9-14-30(15-10-20)18-26(34)31-12-4-3-5-13-31/h6-8,11,16-17,19-20H,3-5,9-10,12-15,18H2,1-2H3,(H,28,29).
What are the key properties of 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 461.61 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 163196243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).