(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C17H16N4O2 — CID 135898239

IUPAC(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC=CCN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2cccc(C)c21
InChIInChI=1S/C17H16N4O2/c1-3-7-21-14-10(2)5-4-6-11(14)17(16(21)23)8-13(22)19-15-12(17)9-18-20-15/h3-6,9H,1,7-8H2,2H3,(H2,18,19,20,22)/t17-/m1/s1
InChIKeyQOENKBLWFJNOHJ-QGZVFWFLSA-N
MW308.34 g/mol
LogP1.88
Rot. Bonds2

About (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135898239) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135898239
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC=CCN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2cccc(C)c21
InChIInChI=1S/C17H16N4O2/c1-3-7-21-14-10(2)5-4-6-11(14)17(16(21)23)8-13(22)19-15-12(17)9-18-20-15/h3-6,9H,1,7-8H2,2H3,(H2,18,19,20,22)/t17-/m1/s1
InChIKeyQOENKBLWFJNOHJ-QGZVFWFLSA-N
XLogP1.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135898239) is (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is C=CCN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2cccc(C)c21.
What is the InChIKey of (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is QOENKBLWFJNOHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-7-21-14-10(2)5-4-6-11(14)17(16(21)23)8-13(22)19-15-12(17)9-18-20-15/h3-6,9H,1,7-8H2,2H3,(H2,18,19,20,22)/t17-/m1/s1.
What are the key properties of (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 308.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135898239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).