tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate

C22H31N7O2 — CID 168885330

IUPACtert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
SMILESCC1CC(CNC(=O)OC(C)(C)C)CCN1c1nc(-c2cnn(C)c2)cn2nccc12
InChIInChI=1S/C22H31N7O2/c1-15-10-16(11-23-21(30)31-22(2,3)4)7-9-28(15)20-19-6-8-24-29(19)14-18(26-20)17-12-25-27(5)13-17/h6,8,12-16H,7,9-11H2,1-5H3,(H,23,30)
InChIKeyYNRSSQVRRNTSMT-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.26
Rot. Bonds4

About tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate (PubChem CID 168885330) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
PubChem CID168885330
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Nametert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
SMILESCC1CC(CNC(=O)OC(C)(C)C)CCN1c1nc(-c2cnn(C)c2)cn2nccc12
InChIInChI=1S/C22H31N7O2/c1-15-10-16(11-23-21(30)31-22(2,3)4)7-9-28(15)20-19-6-8-24-29(19)14-18(26-20)17-12-25-27(5)13-17/h6,8,12-16H,7,9-11H2,1-5H3,(H,23,30)
InChIKeyYNRSSQVRRNTSMT-UHFFFAOYSA-N
XLogP3.26
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate 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

N-[[(2S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-2-yl]methyl]propanamide
CID 169102265
5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride
CID 168885281
N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide
CID 163301826
[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methyl N-tert-butylcarbamate
CID 168885254
ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
CID 168885158
tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate
CID 177078463
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
tert-butyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163302037
2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide
CID 168885131
[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride
CID 168885323
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate
CID 58504033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of 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) is tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate is CC1CC(CNC(=O)OC(C)(C)C)CCN1c1nc(-c2cnn(C)c2)cn2nccc12.
What is the InChIKey of tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate?
The InChIKey is YNRSSQVRRNTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-15-10-16(11-23-21(30)31-22(2,3)4)7-9-28(15)20-19-6-8-24-29(19)14-18(26-20)17-12-25-27(5)13-17/h6,8,12-16H,7,9-11H2,1-5H3,(H,23,30).
What are the key properties of tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate has a molecular weight of 425.54 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 168885330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).