5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

C24H20N4O — CID 143808285

IUPAC5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
SMILESC#CCCc1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ccccc32)ncn1
InChIInChI=1S/C24H20N4O/c1-2-3-6-18-12-22(26-15-25-18)27-19-10-9-16-13-24(14-17(16)11-19)20-7-4-5-8-21(20)28-23(24)29/h1,4-5,7-12,15H,3,6,13-14H2,(H,28,29)(H,25,26,27)
InChIKeyJYSRODBIDGEHLU-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.77
Rot. Bonds4

About 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (PubChem CID 143808285) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
PubChem CID143808285
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
SMILESC#CCCc1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ccccc32)ncn1
InChIInChI=1S/C24H20N4O/c1-2-3-6-18-12-22(26-15-25-18)27-19-10-9-16-13-24(14-17(16)11-19)20-7-4-5-8-21(20)28-23(24)29/h1,4-5,7-12,15H,3,6,13-14H2,(H,28,29)(H,25,26,27)
InChIKeyJYSRODBIDGEHLU-UHFFFAOYSA-N
XLogP3.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one with MolForge

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Related Compounds

5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
CID 143808348
6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 91329449
N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
CID 59407119
2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde
CID 143808402
3,4-dimethyl-6-[6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carbonyl]-1,3-benzoxazol-2-one
CID 58346322
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione
CID 168558814
5'-methyl-5-[[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]-4'-[(1Z)-penta-1,3-dienyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrole]-2'-one
CID 173477400
5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 58117531
6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid
CID 66722373
tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 59407105

Frequently Asked Questions

What is the IUPAC name of 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The IUPAC name of 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (CID 143808285) is 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is C#CCCc1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ccccc32)ncn1.
What is the InChIKey of 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The InChIKey is JYSRODBIDGEHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-2-3-6-18-12-22(26-15-25-18)27-19-10-9-16-13-24(14-17(16)11-19)20-7-4-5-8-21(20)28-23(24)29/h1,4-5,7-12,15H,3,6,13-14H2,(H,28,29)(H,25,26,27).
What are the key properties of 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one has a molecular weight of 380.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 143808285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).