[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

C23H31N7O2 — CID 168885254

IUPAC[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
SMILESCn1cc(-c2cn3nccc3c(N3CC4CCC(C3)C4COC(=O)NC(C)(C)C)n2)cn1
InChIInChI=1S/C23H31N7O2/c1-23(2,3)27-22(31)32-14-18-15-5-6-16(18)12-29(11-15)21-20-7-8-24-30(20)13-19(26-21)17-9-25-28(4)10-17/h7-10,13,15-16,18H,5-6,11-12,14H2,1-4H3,(H,27,31)
InChIKeyUGQVDGUMHAKMLA-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.12
Rot. Bonds4

About [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

[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 (PubChem CID 168885254) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 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]methyl N-tert-butylcarbamate.

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]methyl N-tert-butylcarbamate
PubChem CID168885254
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name[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
SMILESCn1cc(-c2cn3nccc3c(N3CC4CCC(C3)C4COC(=O)NC(C)(C)C)n2)cn1
InChIInChI=1S/C23H31N7O2/c1-23(2,3)27-22(31)32-14-18-15-5-6-16(18)12-29(11-15)21-20-7-8-24-30(20)13-19(26-21)17-9-25-28(4)10-17/h7-10,13,15-16,18H,5-6,11-12,14H2,1-4H3,(H,27,31)
InChIKeyUGQVDGUMHAKMLA-UHFFFAOYSA-N
XLogP3.12
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Related Compounds

[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-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
CID 168885330
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
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
1-[6-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxymethyl]-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one
CID 163301823
N-[[(2S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-2-yl]methyl]propanamide
CID 169102265
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
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 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163302037
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299

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]methyl N-tert-butylcarbamate?
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]methyl N-tert-butylcarbamate (CID 168885254) is [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.
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]methyl N-tert-butylcarbamate?
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]methyl N-tert-butylcarbamate is Cn1cc(-c2cn3nccc3c(N3CC4CCC(C3)C4COC(=O)NC(C)(C)C)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]methyl N-tert-butylcarbamate?
The InChIKey is UGQVDGUMHAKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-23(2,3)27-22(31)32-14-18-15-5-6-16(18)12-29(11-15)21-20-7-8-24-30(20)13-19(26-21)17-9-25-28(4)10-17/h7-10,13,15-16,18H,5-6,11-12,14H2,1-4H3,(H,27,31).
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]methyl N-tert-butylcarbamate?
[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 has a molecular weight of 437.55 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]methyl N-tert-butylcarbamate is sourced from PubChem (CID 168885254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).