[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride

C18H24ClN7 — CID 168885323

IUPAC[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride
SMILESCl.Cn1cc(-c2cn3nccc3c(N3CC4CCC(C3)C4CN)n2)cn1
InChIInChI=1S/C18H23N7.ClH/c1-23-8-14(7-21-23)16-11-25-17(4-5-20-25)18(22-16)24-9-12-2-3-13(10-24)15(12)6-19;/h4-5,7-8,11-13,15H,2-3,6,9-10,19H2,1H3;1H
InChIKeyZEIKHHBJVAPORE-UHFFFAOYSA-N
MW373.89 g/mol
LogP1.97
Rot. Bonds3

About [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride

[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride (PubChem CID 168885323) has the molecular formula C18H24ClN7 and a molecular weight of 373.89 g/mol. Its IUPAC name is [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride
PubChem CID168885323
Molecular FormulaC18H24ClN7
Molecular Weight373.89 g/mol
Exact Mass373.18
IUPAC Name[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride
SMILESCl.Cn1cc(-c2cn3nccc3c(N3CC4CCC(C3)C4CN)n2)cn1
InChIInChI=1S/C18H23N7.ClH/c1-23-8-14(7-21-23)16-11-25-17(4-5-20-25)18(22-16)24-9-12-2-3-13(10-24)15(12)6-19;/h4-5,7-8,11-13,15H,2-3,6,9-10,19H2,1H3;1H
InChIKeyZEIKHHBJVAPORE-UHFFFAOYSA-N
XLogP1.97
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride with MolForge

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Related Compounds

ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
CID 168885158
[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine
CID 163302026
[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
N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide
CID 163301826
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
CID 168885126
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
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-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 146499039
N-[[(2S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-2-yl]methyl]propanamide
CID 169102265
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
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazole-1-carbonitrile
CID 130380690
N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride
CID 171046390

Frequently Asked Questions

What is the IUPAC name of [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride?
The IUPAC name of [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) is [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride is Cl.Cn1cc(-c2cn3nccc3c(N3CC4CCC(C3)C4CN)n2)cn1.
What is the InChIKey of [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride?
The InChIKey is ZEIKHHBJVAPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7.ClH/c1-23-8-14(7-21-23)16-11-25-17(4-5-20-25)18(22-16)24-9-12-2-3-13(10-24)15(12)6-19;/h4-5,7-8,11-13,15H,2-3,6,9-10,19H2,1H3;1H.
What are the key properties of [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride?
[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride has a molecular weight of 373.89 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride is sourced from PubChem (CID 168885323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).