tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H24N4O3 — CID 171945587

IUPACtert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3ccnn3c1)C2
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-14-4-5-15(23)9-12(8-14)17(24)13-10-20-16-6-7-21-22(16)11-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3
InChIKeyYWUXXQVGENBSRD-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171945587) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171945587
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3ccnn3c1)C2
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-14-4-5-15(23)9-12(8-14)17(24)13-10-20-16-6-7-21-22(16)11-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3
InChIKeyYWUXXQVGENBSRD-UHFFFAOYSA-N
XLogP3.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

[4-(1-Methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127339721
3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
CID 155083923
tert-butyl 3-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 163567707
2-[1-(2-Hydroxy-2-methylpropyl)-3-(3-prop-2-enylpiperidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123379497
2-[1-(2-Hydroxy-2-methylpropyl)-3-(2-methylpiperidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123412961
tert-butyl N-[3-[2-[(3S)-3-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 153486296
2-Butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
CID 154612475
tert-butyl 3-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 167436055
Tert-butyl 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 167436132
Tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 175940234
3-(1-Methylbutyl)-8-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70748635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171945587) is tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3ccnn3c1)C2.
What is the InChIKey of tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is YWUXXQVGENBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-14-4-5-15(23)9-12(8-14)17(24)13-10-20-16-6-7-21-22(16)11-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171945587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).