tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate

C22H30N6O2 — CID 177078463

IUPACtert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H](c2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C22H30N6O2/c1-22(2,3)30-21(29)27(5)17-8-6-7-15(11-17)20-19-9-10-23-28(19)14-18(25-20)16-12-24-26(4)13-16/h9-10,12-15,17H,6-8,11H2,1-5H3/t15-,17-/m1/s1
InChIKeyMUMMHOKFCKYPPB-NVXWUHKLSA-N
MW410.52 g/mol
LogP4.02
Rot. Bonds3

About tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate

tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate (PubChem CID 177078463) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate
PubChem CID177078463
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Nametert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H](c2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C22H30N6O2/c1-22(2,3)30-21(29)27(5)17-8-6-7-15(11-17)20-19-9-10-23-28(19)14-18(25-20)16-12-24-26(4)13-16/h9-10,12-15,17H,6-8,11H2,1-5H3/t15-,17-/m1/s1
InChIKeyMUMMHOKFCKYPPB-NVXWUHKLSA-N
XLogP4.02
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]prop-2-enamide
CID 177078468
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
CID 172552286
tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
CID 163301845
tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate
CID 163301622
tert-butyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163302037
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]prop-2-enamide
CID 163302325
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
CID 168885330
N-methyl-N-[(1R,3S)-3-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]prop-2-enamide
CID 168886476
tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 134512333
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 tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate (CID 177078463) is tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H](c2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate?
The InChIKey is MUMMHOKFCKYPPB-NVXWUHKLSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-22(2,3)30-21(29)27(5)17-8-6-7-15(11-17)20-19-9-10-23-28(19)14-18(25-20)16-12-24-26(4)13-16/h9-10,12-15,17H,6-8,11H2,1-5H3/t15-,17-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate?
tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate has a molecular weight of 410.52 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate is sourced from PubChem (CID 177078463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).