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

C17H18BrN5O2 — CID 50809202

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)no1
InChIInChI=1S/C17H18BrN5O2/c1-2-4-12-7-14(21-25-12)15-5-3-6-22(15)17(24)13-9-20-23-10-11(18)8-19-16(13)23/h7-10,15H,2-6H2,1H3
InChIKeyGOBBKVOHRPVHGS-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.41
Rot. Bonds4

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

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809202) 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-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID50809202
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)no1
InChIInChI=1S/C17H18BrN5O2/c1-2-4-12-7-14(21-25-12)15-5-3-6-22(15)17(24)13-9-20-23-10-11(18)8-19-16(13)23/h7-10,15H,2-6H2,1H3
InChIKeyGOBBKVOHRPVHGS-UHFFFAOYSA-N
XLogP3.41
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.41
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-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 50809202) is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CCCc1cc(C2CCCN2C(=O)c2cnn3cc(Br)cnc23)no1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GOBBKVOHRPVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-2-4-12-7-14(21-25-12)15-5-3-6-22(15)17(24)13-9-20-23-10-11(18)8-19-16(13)23/h7-10,15H,2-6H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 404.27 g/mol, XLogP of 3.41, 4 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-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).