6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C25H23N5O2 — CID 3926707

IUPAC6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCc1[nH]nc2c1C1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C25H23N5O2/c1-3-6-19-21-23(29-28-19)32-22(27)18(13-26)25(21)17-7-4-5-8-20(17)30(24(25)31)14-16-11-9-15(2)10-12-16/h4-5,7-12H,3,6,14,27H2,1-2H3,(H,28,29)
InChIKeyOCXCAMSCNHQMHM-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.59
Rot. Bonds4

About 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 3926707) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID3926707
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCc1[nH]nc2c1C1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C25H23N5O2/c1-3-6-19-21-23(29-28-19)32-22(27)18(13-26)25(21)17-7-4-5-8-20(17)30(24(25)31)14-16-11-9-15(2)10-12-16/h4-5,7-12H,3,6,14,27H2,1-2H3,(H,28,29)
InChIKeyOCXCAMSCNHQMHM-UHFFFAOYSA-N
XLogP3.59
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 3926707) is 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCCc1[nH]nc2c1C1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is OCXCAMSCNHQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-3-6-19-21-23(29-28-19)32-22(27)18(13-26)25(21)17-7-4-5-8-20(17)30(24(25)31)14-16-11-9-15(2)10-12-16/h4-5,7-12H,3,6,14,27H2,1-2H3,(H,28,29).
What are the key properties of 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 425.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 3926707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).