(3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

C23H21N5O4 — CID 1299223

IUPAC(3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESCCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C23H21N5O4/c1-5-11-6-12-10(2)8-22(3,4)28-16(12)13(7-11)23(20(28)30)14(9-24)17(25)32-19-15(23)18(29)26-21(31)27-19/h6-8H,5,25H2,1-4H3,(H2,26,27,29,31)/t23-/m1/s1
InChIKeyAMORDMNBOMYMPR-HSZRJFAPSA-N
MW431.45 g/mol
LogP1.54
Rot. Bonds1

About (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

(3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (PubChem CID 1299223) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.

Molecular Properties

Compound Name(3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
PubChem CID1299223
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name(3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESCCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C23H21N5O4/c1-5-11-6-12-10(2)8-22(3,4)28-16(12)13(7-11)23(20(28)30)14(9-24)17(25)32-19-15(23)18(29)26-21(31)27-19/h6-8H,5,25H2,1-4H3,(H2,26,27,29,31)/t23-/m1/s1
InChIKeyAMORDMNBOMYMPR-HSZRJFAPSA-N
XLogP1.54
TPSA145.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1'-amino-6-ethyl-9,11,11-trimethyl-2-oxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,3'-5H-pyrido[1,2-a]benzimidazole]-2',4'-dicarbonitrile
CID 3493715
2'-amino-6,7',7',9,11,11-hexamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 2968782
7'-amino-5-chloro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 71733071
6'-amino-6-methoxy-3',9,11,11-tetramethyl-2-oxo-1'-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2953063
(5S)-7-amino-1'-[(4-fluorophenyl)methyl]-2,2',4-trioxospiro[1H-pyrano[2,3-d]pyrimidine-5,3'-indole]-6-carbonitrile
CID 95862714
ethyl (3S,9R)-6'-amino-5'-cyano-6-ethyl-2',9,11,11-tetramethyl-2-oxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-pyran]-3'-carboxylate
CID 1266467
7'-amino-7-chloro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 172994895
(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-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile
CID 2983707
(7'-amino-6'-cyano-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6-yl) benzoate
CID 3604457
ethyl (3S)-2'-amino-7',9,11,11-tetramethyl-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'-carboxylate
CID 2002369
2'-amino-6-ethyl-9,11,11-trimethyl-2,5'-dioxo-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile
CID 4889879

Frequently Asked Questions

What is the IUPAC name of (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The IUPAC name of (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (CID 1299223) is (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.
What is the SMILES notation for (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The canonical SMILES for (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The InChIKey is AMORDMNBOMYMPR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-5-11-6-12-10(2)8-22(3,4)28-16(12)13(7-11)23(20(28)30)14(9-24)17(25)32-19-15(23)18(29)26-21(31)27-19/h6-8H,5,25H2,1-4H3,(H2,26,27,29,31)/t23-/m1/s1.
What are the key properties of (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
(3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile has a molecular weight of 431.45 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7'-amino-6-ethyl-9,11,11-trimethyl-2,2',4'-trioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is sourced from PubChem (CID 1299223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).