1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine

C23H24Cl2N4O2 — CID 134325160

IUPAC1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine
SMILESCc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC4(OCCO4)C(C)C3)cnc12
InChIInChI=1S/C23H24Cl2N4O2/c1-13-10-16(6-7-23(13)30-8-9-31-23)20-12-26-21-14(2)28-29(22(21)27-20)15(3)18-5-4-17(24)11-19(18)25/h4-6,11-13,15H,7-10H2,1-3H3/t13?,15-/m1/s1
InChIKeyFYYUGWQPGDJMKW-AWKYBWMHSA-N
MW459.38 g/mol
LogP5.61
Rot. Bonds3

About 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine

1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine (PubChem CID 134325160) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine
PubChem CID134325160
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine
SMILESCc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC4(OCCO4)C(C)C3)cnc12
InChIInChI=1S/C23H24Cl2N4O2/c1-13-10-16(6-7-23(13)30-8-9-31-23)20-12-26-21-14(2)28-29(22(21)27-20)15(3)18-5-4-17(24)11-19(18)25/h4-6,11-13,15H,7-10H2,1-3H3/t13?,15-/m1/s1
InChIKeyFYYUGWQPGDJMKW-AWKYBWMHSA-N
XLogP5.61
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-one
CID 134324950
(6S)-4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 142450156
[1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol
CID 134335299
1-[4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxylic acid
CID 134339205
(2S)-1-[(1S,6R)-4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide
CID 134324817
1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide
CID 134341443
(2S)-1-[4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohex-3-en-1-yl]pyrrolidine-2-carboxylic acid
CID 134325099
1-[1-(2,4-dichlorophenyl)ethyl]-6-(4,5-dimethylcyclohexen-1-yl)pyrazolo[3,4-b]pyrazine-3-carbonitrile;propane
CID 142303126
(2S)-1-[4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxylic acid
CID 134325119
3-[(2S)-1-[(1S,6R)-4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]propanoic acid
CID 134325246
6-[(4S,5R)-4-amino-5-methylcyclohexen-1-yl]-1-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
CID 146168058
4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;piperidine
CID 142450233

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine (CID 134325160) is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine is Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC4(OCCO4)C(C)C3)cnc12.
What is the InChIKey of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine?
The InChIKey is FYYUGWQPGDJMKW-AWKYBWMHSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-13-10-16(6-7-23(13)30-8-9-31-23)20-12-26-21-14(2)28-29(22(21)27-20)15(3)18-5-4-17(24)11-19(18)25/h4-6,11-13,15H,7-10H2,1-3H3/t13?,15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine?
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine has a molecular weight of 459.38 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134325160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).