(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile

C12H14N4O2 — CID 944487

IUPAC(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
SMILESCc1[nH]nc2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2
InChIInChI=1S/C12H14N4O2/c1-6-9-11(16-15-6)18-10(14)8(5-13)12(9)3-4-17-7(12)2/h7H,3-4,14H2,1-2H3,(H,15,16)/t7-,12+/m1/s1
InChIKeyBFHXLQVZAIKRKR-KRTXAFLBSA-N
MW246.27 g/mol
LogP0.85
Rot. Bonds

About (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile

(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile (PubChem CID 944487) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile.

Molecular Properties

Compound Name(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
PubChem CID944487
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
SMILESCc1[nH]nc2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2
InChIInChI=1S/C12H14N4O2/c1-6-9-11(16-15-6)18-10(14)8(5-13)12(9)3-4-17-7(12)2/h7H,3-4,14H2,1-2H3,(H,15,16)/t7-,12+/m1/s1
InChIKeyBFHXLQVZAIKRKR-KRTXAFLBSA-N
XLogP0.85
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-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

(2'R,4S)-6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
CID 939320
(1'S,4S,5'R)-6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-6,8-dioxabicyclo[3.2.1]octane]-5-carbonitrile
CID 40823483
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 72549697
(3'S,4R)-6-amino-1',3'-dimethyl-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]-5-carbonitrile
CID 7066706
(3'S,4S)-6-amino-1',3'-dimethyl-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
CID 7066705
(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
(1'S,4S,5'R)-6-amino-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-6,8-dioxabicyclo[3.2.1]octane]-5-carbonitrile
CID 40823485
6'-amino-6-bromo-3',5-dimethyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 4266586
dimethyl 6-amino-5-cyano-3-propan-2-yl-2H-pyrano[2,3-c]pyrazole-4,4-dicarboxylate
CID 102339473
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983
(4S)-6-amino-3-methyl-4-(2,3,5,6-tetramethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6940547

Frequently Asked Questions

What is the IUPAC name of (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile?
The IUPAC name of (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile (CID 944487) is (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile.
What is the SMILES notation for (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile?
The canonical SMILES for (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile is Cc1[nH]nc2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2.
What is the InChIKey of (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile?
The InChIKey is BFHXLQVZAIKRKR-KRTXAFLBSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-6-9-11(16-15-6)18-10(14)8(5-13)12(9)3-4-17-7(12)2/h7H,3-4,14H2,1-2H3,(H,15,16)/t7-,12+/m1/s1.
What are the key properties of (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile?
(2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,4S)-6-amino-2',3-dimethylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile is sourced from PubChem (CID 944487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).