1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione

C17H12N4O2 — CID 154749384

IUPAC1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
SMILESC#CCN1C(=O)C2(NC(=O)c3cccnc3N2)c2ccccc21
InChIInChI=1S/C17H12N4O2/c1-2-10-21-13-8-4-3-7-12(13)17(16(21)23)19-14-11(15(22)20-17)6-5-9-18-14/h1,3-9H,10H2,(H,18,19)(H,20,22)
InChIKeyLYSKLCNHGXIWSA-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.07
Rot. Bonds1

About 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione

1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione (PubChem CID 154749384) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
PubChem CID154749384
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
SMILESC#CCN1C(=O)C2(NC(=O)c3cccnc3N2)c2ccccc21
InChIInChI=1S/C17H12N4O2/c1-2-10-21-13-8-4-3-7-12(13)17(16(21)23)19-14-11(15(22)20-17)6-5-9-18-14/h1,3-9H,10H2,(H,18,19)(H,20,22)
InChIKeyLYSKLCNHGXIWSA-UHFFFAOYSA-N
XLogP1.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione (CID 154749384) is 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione is C#CCN1C(=O)C2(NC(=O)c3cccnc3N2)c2ccccc21.
What is the InChIKey of 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
The InChIKey is LYSKLCNHGXIWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-2-10-21-13-8-4-3-7-12(13)17(16(21)23)19-14-11(15(22)20-17)6-5-9-18-14/h1,3-9H,10H2,(H,18,19)(H,20,22).
What are the key properties of 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione has a molecular weight of 304.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 154749384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).