(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C17H18BrN5O2 — CID 50809136

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)on1
InChIInChI=1S/C17H18BrN5O2/c1-10(2)13-6-15(25-21-13)14-4-3-5-22(14)17(24)12-8-20-23-9-11(18)7-19-16(12)23/h6-10,14H,3-5H2,1-2H3
InChIKeyVOKLDYLRXQCAIN-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.58
Rot. Bonds3

About (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809136) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID50809136
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)on1
InChIInChI=1S/C17H18BrN5O2/c1-10(2)13-6-15(25-21-13)14-4-3-5-22(14)17(24)12-8-20-23-9-11(18)7-19-16(12)23/h6-10,14H,3-5H2,1-2H3
InChIKeyVOKLDYLRXQCAIN-UHFFFAOYSA-N
XLogP3.58
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 50809136) is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)on1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VOKLDYLRXQCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-10(2)13-6-15(25-21-13)14-4-3-5-22(14)17(24)12-8-20-23-9-11(18)7-19-16(12)23/h6-10,14H,3-5H2,1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 404.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).