2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone

C24H23N5O2 — CID 134805396

IUPAC2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2cnc3c(ccn3-c3cncnc3)c2)CC1
InChIInChI=1S/C24H23N5O2/c30-23(12-18-4-2-1-3-5-18)28-9-7-21(8-10-28)31-22-13-19-6-11-29(24(19)27-16-22)20-14-25-17-26-15-20/h1-6,11,13-17,21H,7-10,12H2
InChIKeyPVUAAIZUXXEAQE-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.43
Rot. Bonds5

About 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone

2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone (PubChem CID 134805396) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone
PubChem CID134805396
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2cnc3c(ccn3-c3cncnc3)c2)CC1
InChIInChI=1S/C24H23N5O2/c30-23(12-18-4-2-1-3-5-18)28-9-7-21(8-10-28)31-22-13-19-6-11-29(24(19)27-16-22)20-14-25-17-26-15-20/h1-6,11,13-17,21H,7-10,12H2
InChIKeyPVUAAIZUXXEAQE-UHFFFAOYSA-N
XLogP3.43
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 57468424
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623233
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
CID 58347523
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone (CID 134805396) is 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(Oc2cnc3c(ccn3-c3cncnc3)c2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is PVUAAIZUXXEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-23(12-18-4-2-1-3-5-18)28-9-7-21(8-10-28)31-22-13-19-6-11-29(24(19)27-16-22)20-14-25-17-26-15-20/h1-6,11,13-17,21H,7-10,12H2.
What are the key properties of 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone?
2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 413.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 134805396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).