2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide

C28H20N6O3 — CID 40906968

IUPAC2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide
SMILESN#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@]12C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C28H20N6O3/c29-15-20-25(31)37-26-23(28(20)19-13-7-8-14-21(19)33(27(28)36)16-22(30)35)24(17-9-3-1-4-10-17)32-34(26)18-11-5-2-6-12-18/h1-14H,16,31H2,(H2,30,35)/t28-/m0/s1
InChIKeyWSQIEEHRKPVALZ-NDEPHWFRSA-N
MW488.51 g/mol
LogP2.74
Rot. Bonds4

About 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide

2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide (PubChem CID 40906968) has the molecular formula C28H20N6O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide
PubChem CID40906968
Molecular FormulaC28H20N6O3
Molecular Weight488.51 g/mol
Exact Mass488.16
IUPAC Name2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide
SMILESN#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@]12C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C28H20N6O3/c29-15-20-25(31)37-26-23(28(20)19-13-7-8-14-21(19)33(27(28)36)16-22(30)35)24(17-9-3-1-4-10-17)32-34(26)18-11-5-2-6-12-18/h1-14H,16,31H2,(H2,30,35)/t28-/m0/s1
InChIKeyWSQIEEHRKPVALZ-NDEPHWFRSA-N
XLogP2.74
TPSA140.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide?
The IUPAC name of 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide (CID 40906968) is 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide is N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@]12C(=O)N(CC(N)=O)c1ccccc12.
What is the InChIKey of 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide?
The InChIKey is WSQIEEHRKPVALZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H20N6O3/c29-15-20-25(31)37-26-23(28(20)19-13-7-8-14-21(19)33(27(28)36)16-22(30)35)24(17-9-3-1-4-10-17)32-34(26)18-11-5-2-6-12-18/h1-14H,16,31H2,(H2,30,35)/t28-/m0/s1.
What are the key properties of 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide?
2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide has a molecular weight of 488.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide is sourced from PubChem (CID 40906968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).