(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

C22H24N4O3 — CID 96564214

IUPAC(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1cccc2c1N(CC(C)C)C(=O)[C@@]21C(C#N)=C(N)NC2=C1C(=O)OC2(C)C
InChIInChI=1S/C22H24N4O3/c1-11(2)10-26-16-12(3)7-6-8-13(16)22(20(26)28)14(9-23)18(24)25-17-15(22)19(27)29-21(17,4)5/h6-8,11,25H,10,24H2,1-5H3/t22-/m1/s1
InChIKeyWXBGSGHVZVLVDS-JOCHJYFZSA-N
MW392.46 g/mol
LogP2.12
Rot. Bonds2

About (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile (PubChem CID 96564214) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
PubChem CID96564214
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1cccc2c1N(CC(C)C)C(=O)[C@@]21C(C#N)=C(N)NC2=C1C(=O)OC2(C)C
InChIInChI=1S/C22H24N4O3/c1-11(2)10-26-16-12(3)7-6-8-13(16)22(20(26)28)14(9-23)18(24)25-17-15(22)19(27)29-21(17,4)5/h6-8,11,25H,10,24H2,1-5H3/t22-/m1/s1
InChIKeyWXBGSGHVZVLVDS-JOCHJYFZSA-N
XLogP2.12
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-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

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile (CID 96564214) is (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile is Cc1cccc2c1N(CC(C)C)C(=O)[C@@]21C(C#N)=C(N)NC2=C1C(=O)OC2(C)C.
What is the InChIKey of (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The InChIKey is WXBGSGHVZVLVDS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-11(2)10-26-16-12(3)7-6-8-13(16)22(20(26)28)14(9-23)18(24)25-17-15(22)19(27)29-21(17,4)5/h6-8,11,25H,10,24H2,1-5H3/t22-/m1/s1.
What are the key properties of (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 96564214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).