(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one

C25H17N3O2 — CID 172724807

IUPAC(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one
SMILESO=C1Nc2ccccc2[C@]12C=COc1c2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H17N3O2/c29-24-25(19-13-7-8-14-20(19)26-24)15-16-30-23-21(25)22(17-9-3-1-4-10-17)27-28(23)18-11-5-2-6-12-18/h1-16H,(H,26,29)/t25-/m0/s1
InChIKeyGZRQJBBNZAHKFD-VWLOTQADSA-N
MW391.43 g/mol
LogP4.68
Rot. Bonds2

About (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one

(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one (PubChem CID 172724807) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one.

Molecular Properties

Compound Name(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one
PubChem CID172724807
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one
SMILESO=C1Nc2ccccc2[C@]12C=COc1c2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H17N3O2/c29-24-25(19-13-7-8-14-20(19)26-24)15-16-30-23-21(25)22(17-9-3-1-4-10-17)27-28(23)18-11-5-2-6-12-18/h1-16H,(H,26,29)/t25-/m0/s1
InChIKeyGZRQJBBNZAHKFD-VWLOTQADSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6'-amino-2-oxo-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 15094138
spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one
CID 156766338
(3R)-3'-methyl-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-chromeno[3,2-d]pyrazole]-2,5'-dione
CID 139177211
2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 171355275
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
CID 10596290
2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide
CID 40906968
1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755
6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione
CID 15228920
(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 11796602
5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
CID 102552150
(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
CID 100816888

Frequently Asked Questions

What is the IUPAC name of (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one?
The IUPAC name of (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one (CID 172724807) is (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one.
What is the SMILES notation for (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one?
The canonical SMILES for (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one is O=C1Nc2ccccc2[C@]12C=COc1c2c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one?
The InChIKey is GZRQJBBNZAHKFD-VWLOTQADSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-24-25(19-13-7-8-14-20(19)26-24)15-16-30-23-21(25)22(17-9-3-1-4-10-17)27-28(23)18-11-5-2-6-12-18/h1-16H,(H,26,29)/t25-/m0/s1.
What are the key properties of (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one?
(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one has a molecular weight of 391.43 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one is sourced from PubChem (CID 172724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).