6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

C15H11N5O2 — CID 2813312

IUPAC6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESCc1[nH]nc2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C15H11N5O2/c1-7-11-13(20-19-7)22-12(17)9(6-16)15(11)8-4-2-3-5-10(8)18-14(15)21/h2-5H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyKBSIKCVNXVVXMS-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.04
Rot. Bonds

About 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (PubChem CID 2813312) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
PubChem CID2813312
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESCc1[nH]nc2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C15H11N5O2/c1-7-11-13(20-19-7)22-12(17)9(6-16)15(11)8-4-2-3-5-10(8)18-14(15)21/h2-5H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyKBSIKCVNXVVXMS-UHFFFAOYSA-N
XLogP1.04
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The IUPAC name of 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CID 2813312) is 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The canonical SMILES for 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is Cc1[nH]nc2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The InChIKey is KBSIKCVNXVVXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-7-11-13(20-19-7)22-12(17)9(6-16)15(11)8-4-2-3-5-10(8)18-14(15)21/h2-5H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile has a molecular weight of 293.29 g/mol, XLogP of 1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 2813312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).