tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate

C22H36N4O2 — CID 139310659

IUPACtert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate
SMILESCc1nn(CCC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CNCC2
InChIInChI=1S/C22H36N4O2/c1-16-17-15-23-13-5-18(17)26(25-16)14-12-21-6-9-22(10-7-21,11-8-21)24-19(27)28-20(2,3)4/h23H,5-15H2,1-4H3,(H,24,27)
InChIKeyFPHGBPVBDOEENX-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate

tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate (PubChem CID 139310659) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate
PubChem CID139310659
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Nametert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate
SMILESCc1nn(CCC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CNCC2
InChIInChI=1S/C22H36N4O2/c1-16-17-15-23-13-5-18(17)26(25-16)14-12-21-6-9-22(10-7-21,11-8-21)24-19(27)28-20(2,3)4/h23H,5-15H2,1-4H3,(H,24,27)
InChIKeyFPHGBPVBDOEENX-UHFFFAOYSA-N
XLogP3.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[3-[1-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]propyl]carbamate
CID 139311039
tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride
CID 161020009
1,1-bis(bromomethyl)cyclobutane;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;7-chloro-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine;bis(6-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-oxa-6-azaspiro[3.3]heptane);bis(4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine)
CID 158940077
tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 59776920
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
N-[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]azetidine-3-carboxamide
CID 138734596
tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
CID 84707922
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[3,3-difluoro-1-(2H-triazol-4-yl)cyclopentyl]carbamate
CID 154685457
tert-butyl N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)oxymethyl]-1-bicyclo[2.2.1]heptanyl]carbamate
CID 163818123
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
CID 25324806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate (CID 139310659) is tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate is Cc1nn(CCC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CNCC2.
What is the InChIKey of tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate?
The InChIKey is FPHGBPVBDOEENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-16-17-15-23-13-5-18(17)26(25-16)14-12-21-6-9-22(10-7-21,11-8-21)24-19(27)28-20(2,3)4/h23H,5-15H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate?
tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate has a molecular weight of 388.56 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethyl]-1-bicyclo[2.2.2]octanyl]carbamate is sourced from PubChem (CID 139310659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).