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

C17H12N4O3 — CID 6324437

IUPAC2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C17H12N4O3/c1-8-6-12-13(15(22)20-8)17(10(7-18)14(19)24-12)9-4-2-3-5-11(9)21-16(17)23/h2-6H,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyAZLPIAADKRLNLY-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.01
Rot. Bonds

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

2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile (PubChem CID 6324437) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile
PubChem CID6324437
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C17H12N4O3/c1-8-6-12-13(15(22)20-8)17(10(7-18)14(19)24-12)9-4-2-3-5-11(9)21-16(17)23/h2-6H,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyAZLPIAADKRLNLY-UHFFFAOYSA-N
XLogP1.01
TPSA121.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The IUPAC name of 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile (CID 6324437) is 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The canonical SMILES for 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile is Cc1cc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The InChIKey is AZLPIAADKRLNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-8-6-12-13(15(22)20-8)17(10(7-18)14(19)24-12)9-4-2-3-5-11(9)21-16(17)23/h2-6H,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile?
2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile has a molecular weight of 320.31 g/mol, XLogP of 1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carbonitrile is sourced from PubChem (CID 6324437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).