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

C19H16N4O3 — CID 41031849

IUPAC(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C19H16N4O3/c1-3-23-10(2)8-14-15(17(23)24)19(12(9-20)16(21)26-14)11-6-4-5-7-13(11)22-18(19)25/h4-8H,3,21H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyFMBFUUNVDJCICT-LJQANCHMSA-N
MW348.36 g/mol
LogP1.50
Rot. Bonds1

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

(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile (PubChem CID 41031849) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
PubChem CID41031849
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C19H16N4O3/c1-3-23-10(2)8-14-15(17(23)24)19(12(9-20)16(21)26-14)11-6-4-5-7-13(11)22-18(19)25/h4-8H,3,21H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyFMBFUUNVDJCICT-LJQANCHMSA-N
XLogP1.50
TPSA110.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-2'-amino-7'-methyl-2,5'-dioxo-6'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 40714268
(3S)-2'-amino-6'-(furan-2-ylmethyl)-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 40963609
(3R)-2'-amino-7'-methyl-2,5'-dioxo-6'-[[(2S)-oxolan-2-yl]methyl]spiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031851
methyl (3S)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 7385076
2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 18886508
ethyl (3S)-2'-amino-6'-benzyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 51567692
(3R)-2'-amino-1-butyl-6',7'-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 7353839
2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 134834162
2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 18886520
(3S)-2'-amino-8',10'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 98609919
(3S)-2'-amino-1-[(2-chlorophenyl)methyl]-6',7'-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41194033
ethyl (3S)-5'-amino-6'-cyano-2'-methyl-2-oxospiro[1H-indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
CID 7335787

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile (CID 41031849) is (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile is CCn1c(C)cc2c(c1=O)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The InChIKey is FMBFUUNVDJCICT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-3-23-10(2)8-14-15(17(23)24)19(12(9-20)16(21)26-14)11-6-4-5-7-13(11)22-18(19)25/h4-8H,3,21H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile is sourced from PubChem (CID 41031849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).