1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C24H22N6O2 — CID 42610073

IUPAC1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C(c1cc(N2CCC3(CC2)C(=O)Nc2ncccc23)ncn1)N1CCc2ccccc21
InChIInChI=1S/C24H22N6O2/c31-22(30-11-7-16-4-1-2-6-19(16)30)18-14-20(27-15-26-18)29-12-8-24(9-13-29)17-5-3-10-25-21(17)28-23(24)32/h1-6,10,14-15H,7-9,11-13H2,(H,25,28,32)
InChIKeyRIATUURIKDCUPV-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.56
Rot. Bonds2

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

1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 42610073) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID42610073
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C(c1cc(N2CCC3(CC2)C(=O)Nc2ncccc23)ncn1)N1CCc2ccccc21
InChIInChI=1S/C24H22N6O2/c31-22(30-11-7-16-4-1-2-6-19(16)30)18-14-20(27-15-26-18)29-12-8-24(9-13-29)17-5-3-10-25-21(17)28-23(24)32/h1-6,10,14-15H,7-9,11-13H2,(H,25,28,32)
InChIKeyRIATUURIKDCUPV-UHFFFAOYSA-N
XLogP2.56
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one
CID 58117474
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CID 42613299
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
CID 89009696
CID 89009696
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386431
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
CID 25160773
1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 118888513
spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
CID 90379626
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633

Frequently Asked Questions

What is the IUPAC name of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 42610073) is 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is O=C(c1cc(N2CCC3(CC2)C(=O)Nc2ncccc23)ncn1)N1CCc2ccccc21.
What is the InChIKey of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is RIATUURIKDCUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-22(30-11-7-16-4-1-2-6-19(16)30)18-14-20(27-15-26-18)29-12-8-24(9-13-29)17-5-3-10-25-21(17)28-23(24)32/h1-6,10,14-15H,7-9,11-13H2,(H,25,28,32).
What are the key properties of 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 426.48 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 42610073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).