7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one

C26H24N4O3 — CID 92530657

IUPAC7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESO=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc21
InChIInChI=1S/C26H24N4O3/c31-25(29-13-12-18-7-4-5-11-23(18)29)21-16-28(15-20-10-6-14-33-20)17-22-24(21)27-30(26(22)32)19-8-2-1-3-9-19/h1-5,7-9,11,16-17,20H,6,10,12-15H2/t20-/m1/s1
InChIKeyGWAIYYPWRAMFPT-HXUWFJFHSA-N
MW440.50 g/mol
LogP3.52
Rot. Bonds4

About 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one

7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 92530657) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one
PubChem CID92530657
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESO=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc21
InChIInChI=1S/C26H24N4O3/c31-25(29-13-12-18-7-4-5-11-23(18)29)21-16-28(15-20-10-6-14-33-20)17-22-24(21)27-30(26(22)32)19-8-2-1-3-9-19/h1-5,7-9,11,16-17,20H,6,10,12-15H2/t20-/m1/s1
InChIKeyGWAIYYPWRAMFPT-HXUWFJFHSA-N
XLogP3.52
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one
CID 92530654
N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570591
N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 92522852
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
1-(2,3-dihydroindol-1-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylethanone
CID 55485838
2-[[5-cyclopropyl-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 1457449
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 113339957
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one (CID 92530657) is 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one is O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc21.
What is the InChIKey of 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is GWAIYYPWRAMFPT-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(29-13-12-18-7-4-5-11-23(18)29)21-16-28(15-20-10-6-14-33-20)17-22-24(21)27-30(26(22)32)19-8-2-1-3-9-19/h1-5,7-9,11,16-17,20H,6,10,12-15H2/t20-/m1/s1.
What are the key properties of 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one?
7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 440.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 92530657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).