2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile

C25H20N4O3 — CID 18886476

IUPAC2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1ccc(CN2C(=O)C3(C(C#N)=C(N)Oc4cc(C)[nH]c(=O)c43)c3ccccc32)cc1
InChIInChI=1S/C25H20N4O3/c1-14-7-9-16(10-8-14)13-29-19-6-4-3-5-17(19)25(24(29)31)18(12-26)22(27)32-20-11-15(2)28-23(30)21(20)25/h3-11H,13,27H2,1-2H3,(H,28,30)
InChIKeyPHFUVZPSFIQXDQ-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile

2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile (PubChem CID 18886476) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
PubChem CID18886476
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1ccc(CN2C(=O)C3(C(C#N)=C(N)Oc4cc(C)[nH]c(=O)c43)c3ccccc32)cc1
InChIInChI=1S/C25H20N4O3/c1-14-7-9-16(10-8-14)13-29-19-6-4-3-5-17(19)25(24(29)31)18(12-26)22(27)32-20-11-15(2)28-23(30)21(20)25/h3-11H,13,27H2,1-2H3,(H,28,30)
InChIKeyPHFUVZPSFIQXDQ-UHFFFAOYSA-N
XLogP2.91
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile (CID 18886476) is 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile is Cc1ccc(CN2C(=O)C3(C(C#N)=C(N)Oc4cc(C)[nH]c(=O)c43)c3ccccc32)cc1.
What is the InChIKey of 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The InChIKey is PHFUVZPSFIQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-14-7-9-16(10-8-14)13-29-19-6-4-3-5-17(19)25(24(29)31)18(12-26)22(27)32-20-11-15(2)28-23(30)21(20)25/h3-11H,13,27H2,1-2H3,(H,28,30).
What are the key properties of 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile has a molecular weight of 424.46 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 18886476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).