N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride

C17H23ClN6O — CID 171046390

IUPACN,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride
SMILESCNC1CC(C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1C.Cl
InChIInChI=1S/C17H22N6O.ClH/c1-11-13(18-3)7-17(11,2)24-16-15-5-6-19-23(15)10-14(21-16)12-8-20-22(4)9-12;/h5-6,8-11,13,18H,7H2,1-4H3;1H
InChIKeyZCLQMUMULPRIDO-UHFFFAOYSA-N
MW362.87 g/mol
LogP2.32
Rot. Bonds4

About N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride

N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride (PubChem CID 171046390) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride
PubChem CID171046390
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC NameN,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride
SMILESCNC1CC(C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1C.Cl
InChIInChI=1S/C17H22N6O.ClH/c1-11-13(18-3)7-17(11,2)24-16-15-5-6-19-23(15)10-14(21-16)12-8-20-22(4)9-12;/h5-6,8-11,13,18H,7H2,1-4H3;1H
InChIKeyZCLQMUMULPRIDO-UHFFFAOYSA-N
XLogP2.32
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
CID 163301814
(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
CID 167070776
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
CID 163301689
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
CID 172552286
4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 163301646
N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
CID 163301909
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]prop-2-enamide
CID 163302325
N-methyl-N-[(1R,3R,6S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-bicyclo[4.2.0]oct-7-ynyl]but-2-ynamide
CID 167070898
1-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 167070902
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
ethane;N-methyl-N-[[(1R)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]methyl]prop-2-enamide
CID 163301389

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride?
The IUPAC name of N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride (CID 171046390) is N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride.
What is the SMILES notation for N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride?
The canonical SMILES for N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride is CNC1CC(C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1C.Cl.
What is the InChIKey of N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride?
The InChIKey is ZCLQMUMULPRIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O.ClH/c1-11-13(18-3)7-17(11,2)24-16-15-5-6-19-23(15)10-14(21-16)12-8-20-22(4)9-12;/h5-6,8-11,13,18H,7H2,1-4H3;1H.
What are the key properties of N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride?
N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride has a molecular weight of 362.87 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 171046390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).