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

C16H12N4O2 — CID 135901623

IUPAC(4R)-1'-prop-2-ynylspiro[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)c2ccccc21
InChIInChI=1S/C16H12N4O2/c1-2-7-20-12-6-4-3-5-10(12)16(15(20)22)8-13(21)18-14-11(16)9-17-19-14/h1,3-6,9H,7-8H2,(H2,17,18,19,21)/t16-/m1/s1
InChIKeyYYECTMMXKWTICC-MRXNPFEDSA-N
MW292.30 g/mol
LogP1.02
Rot. Bonds1

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

(4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135901623) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135901623
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name(4R)-1'-prop-2-ynylspiro[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)c2ccccc21
InChIInChI=1S/C16H12N4O2/c1-2-7-20-12-6-4-3-5-10(12)16(15(20)22)8-13(21)18-14-11(16)9-17-19-14/h1,3-6,9H,7-8H2,(H2,17,18,19,21)/t16-/m1/s1
InChIKeyYYECTMMXKWTICC-MRXNPFEDSA-N
XLogP1.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135901623) is (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4R)-1'-prop-2-ynylspiro[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)c2ccccc21.
What is the InChIKey of (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is YYECTMMXKWTICC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-2-7-20-12-6-4-3-5-10(12)16(15(20)22)8-13(21)18-14-11(16)9-17-19-14/h1,3-6,9H,7-8H2,(H2,17,18,19,21)/t16-/m1/s1.
What are the key properties of (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 292.30 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135901623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).