(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile

C22H17N5O2 — CID 1293740

IUPAC(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C22H17N5O2/c1-13-18-20(27(25-13)14-8-4-3-5-9-14)29-19(24)16(12-23)22(18)15-10-6-7-11-17(15)26(2)21(22)28/h3-11H,24H2,1-2H3/t22-/m1/s1
InChIKeyFWCOUCFKOQCGKK-JOCHJYFZSA-N
MW383.41 g/mol
LogP2.53
Rot. Bonds1

About (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile

(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (PubChem CID 1293740) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
PubChem CID1293740
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C22H17N5O2/c1-13-18-20(27(25-13)14-8-4-3-5-9-14)29-19(24)16(12-23)22(18)15-10-6-7-11-17(15)26(2)21(22)28/h3-11H,24H2,1-2H3/t22-/m1/s1
InChIKeyFWCOUCFKOQCGKK-JOCHJYFZSA-N
XLogP2.53
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The IUPAC name of (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (CID 1293740) is (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
What is the SMILES notation for (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The canonical SMILES for (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The InChIKey is FWCOUCFKOQCGKK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-13-18-20(27(25-13)14-8-4-3-5-9-14)29-19(24)16(12-23)22(18)15-10-6-7-11-17(15)26(2)21(22)28/h3-11H,24H2,1-2H3/t22-/m1/s1.
What are the key properties of (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 1293740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).