1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one

C26H25N5O2 — CID 58117474

IUPAC1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one
SMILESO=C1CC2(CCN(c3cc(C(=O)N4CCc5ccccc54)ncn3)CC2)c2ccccc2N1
InChIInChI=1S/C26H25N5O2/c32-24-16-26(19-6-2-3-7-20(19)29-24)10-13-30(14-11-26)23-15-21(27-17-28-23)25(33)31-12-9-18-5-1-4-8-22(18)31/h1-8,15,17H,9-14,16H2,(H,29,32)
InChIKeyAKKHWFIPPXROQM-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.56
Rot. Bonds2

About 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one

1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one (PubChem CID 58117474) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one
PubChem CID58117474
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one
SMILESO=C1CC2(CCN(c3cc(C(=O)N4CCc5ccccc54)ncn3)CC2)c2ccccc2N1
InChIInChI=1S/C26H25N5O2/c32-24-16-26(19-6-2-3-7-20(19)29-24)10-13-30(14-11-26)23-15-21(27-17-28-23)25(33)31-12-9-18-5-1-4-8-22(18)31/h1-8,15,17H,9-14,16H2,(H,29,32)
InChIKeyAKKHWFIPPXROQM-UHFFFAOYSA-N
XLogP3.56
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 42610073
3-[1-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 42613299
7-methoxy-3-[1-[6-(5-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 58386651
2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylic acid
CID 68828702
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
1-[6-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyrimidine-4-carbonyl]-2,3-dihydroindole-5-carbonitrile
CID 42613596
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109350750
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851

Frequently Asked Questions

What is the IUPAC name of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one?
The IUPAC name of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one (CID 58117474) is 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one is O=C1CC2(CCN(c3cc(C(=O)N4CCc5ccccc54)ncn3)CC2)c2ccccc2N1.
What is the InChIKey of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one?
The InChIKey is AKKHWFIPPXROQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-24-16-26(19-6-2-3-7-20(19)29-24)10-13-30(14-11-26)23-15-21(27-17-28-23)25(33)31-12-9-18-5-1-4-8-22(18)31/h1-8,15,17H,9-14,16H2,(H,29,32).
What are the key properties of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one?
1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one has a molecular weight of 439.52 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 58117474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).