(3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile

C18H12BrN3O4 — CID 1068420

IUPAC(3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SMILESCc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3cc(Br)c(C)cc31)C(C#N)=C(N)O2
InChIInChI=1S/C18H12BrN3O4/c1-7-3-9-12(5-11(7)19)22-17(24)18(9)10(6-20)15(21)26-13-4-8(2)25-16(23)14(13)18/h3-5H,21H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyNHEYPRRYQPUWEP-GOSISDBHSA-N
MW414.22 g/mol
LogP2.34
Rot. Bonds

About (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile

(3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (PubChem CID 1068420) has the molecular formula C18H12BrN3O4 and a molecular weight of 414.22 g/mol. Its IUPAC name is (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
PubChem CID1068420
Molecular FormulaC18H12BrN3O4
Molecular Weight414.22 g/mol
Exact Mass413.00
IUPAC Name(3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SMILESCc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3cc(Br)c(C)cc31)C(C#N)=C(N)O2
InChIInChI=1S/C18H12BrN3O4/c1-7-3-9-12(5-11(7)19)22-17(24)18(9)10(6-20)15(21)26-13-4-8(2)25-16(23)14(13)18/h3-5H,21H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyNHEYPRRYQPUWEP-GOSISDBHSA-N
XLogP2.34
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-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-4-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CID 1202475
6'-amino-6-bromo-3',5-dimethyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 4266586
(3R)-1-acetyl-2'-amino-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CID 2034042
(3S)-1-acetyl-2'-amino-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CID 2034041
(3R,11S)-2'-amino-9,11-diethyl-6,7',11-trimethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CID 41066513
2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 134834162
(3S)-2'-amino-1-[(3,4-dichlorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CID 51566995
(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
methyl 2-[(3S)-2'-amino-3'-cyano-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-1-yl]acetate
CID 1272609
(3S)-2'-amino-8',10'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 98609919
(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031849
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (CID 1068420) is (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3cc(Br)c(C)cc31)C(C#N)=C(N)O2.
What is the InChIKey of (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The InChIKey is NHEYPRRYQPUWEP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H12BrN3O4/c1-7-3-9-12(5-11(7)19)22-17(24)18(9)10(6-20)15(21)26-13-4-8(2)25-16(23)14(13)18/h3-5H,21H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
(3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile has a molecular weight of 414.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-6-bromo-5,7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is sourced from PubChem (CID 1068420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).