(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

C18H15N5O4 — CID 42590493

IUPAC(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)c2ccccc21
InChIInChI=1S/C18H15N5O4/c1-21-11-7-5-4-6-9(11)18(16(21)25)10(8-19)13(20)27-15-12(18)14(24)22(2)17(26)23(15)3/h4-7H,20H2,1-3H3/t18-/m0/s1
InChIKeyRLYDBVZRVKRQJL-SFHVURJKSA-N
MW365.35 g/mol
LogP-0.57
Rot. Bonds

About (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (PubChem CID 42590493) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.

Molecular Properties

Compound Name(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
PubChem CID42590493
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)c2ccccc21
InChIInChI=1S/C18H15N5O4/c1-21-11-7-5-4-6-9(11)18(16(21)25)10(8-19)13(20)27-15-12(18)14(24)22(2)17(26)23(15)3/h4-7H,20H2,1-3H3/t18-/m0/s1
InChIKeyRLYDBVZRVKRQJL-SFHVURJKSA-N
XLogP-0.57
TPSA123.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile with MolForge

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Related Compounds

(3R)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293742
(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293740
7'-amino-1-[[1-(4-bromophenyl)triazol-4-yl]methyl]-1',3'-dimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 90671110
2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
CID 18886469
6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3992081
(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
CID 704946
2-amino-5-hydroxy-1'-methyl-2'-oxo-6-propanoylspiro[chromene-4,3'-indole]-3-carbonitrile
CID 102226168
(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 943442
methyl 6-amino-5-cyano-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-carboxylate
CID 102498742
(3R)-2'-amino-1-butyl-6',7'-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 7353839
benzyl 6'-amino-5'-cyano-1,2'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 3156116
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The IUPAC name of (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (CID 42590493) is (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.
What is the SMILES notation for (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The canonical SMILES for (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)c2ccccc21.
What is the InChIKey of (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The InChIKey is RLYDBVZRVKRQJL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-21-11-7-5-4-6-9(11)18(16(21)25)10(8-19)13(20)27-15-12(18)14(24)22(2)17(26)23(15)3/h4-7H,20H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile has a molecular weight of 365.35 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is sourced from PubChem (CID 42590493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).