3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole

C21H28N6O — CID 171327533

IUPAC3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
SMILESCC(C)(C)c1cc2c(N3CCN(Cc4cc(C5CC5)on4)CC3)nccn2n1
InChIInChI=1S/C21H28N6O/c1-21(2,3)19-13-17-20(22-6-7-27(17)23-19)26-10-8-25(9-11-26)14-16-12-18(28-24-16)15-4-5-15/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
InChIKeyQAFJGKXZMJPDAF-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.21
Rot. Bonds4

About 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole

3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole (PubChem CID 171327533) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
PubChem CID171327533
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
SMILESCC(C)(C)c1cc2c(N3CCN(Cc4cc(C5CC5)on4)CC3)nccn2n1
InChIInChI=1S/C21H28N6O/c1-21(2,3)19-13-17-20(22-6-7-27(17)23-19)26-10-8-25(9-11-26)14-16-12-18(28-24-16)15-4-5-15/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
InChIKeyQAFJGKXZMJPDAF-UHFFFAOYSA-N
XLogP3.21
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole with MolForge

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Related Compounds

(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 104892904
1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
CID 104733153
[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]methanamine
CID 104729881
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
2-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]propan-2-ol
CID 172890964
2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104977429
N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 166434337
5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 155974924
5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 163352191
2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid
CID 104729582
2-[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 171334879

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The IUPAC name of 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole (CID 171327533) is 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole is CC(C)(C)c1cc2c(N3CCN(Cc4cc(C5CC5)on4)CC3)nccn2n1.
What is the InChIKey of 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The InChIKey is QAFJGKXZMJPDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-21(2,3)19-13-17-20(22-6-7-27(17)23-19)26-10-8-25(9-11-26)14-16-12-18(28-24-16)15-4-5-15/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3.
What are the key properties of 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole has a molecular weight of 380.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 171327533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).