(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

C11H10BrClN4O2 — CID 840787

IUPAC(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nn2cc(Br)cnc2c1Cl)N1CCOCC1
InChIInChI=1S/C11H10BrClN4O2/c12-7-5-14-10-8(13)9(15-17(10)6-7)11(18)16-1-3-19-4-2-16/h5-6H,1-4H2
InChIKeyFXHGZHRIDSZIBA-UHFFFAOYSA-N
MW345.58 g/mol
LogP1.62
Rot. Bonds1

About (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (PubChem CID 840787) has the molecular formula C11H10BrClN4O2 and a molecular weight of 345.58 g/mol. Its IUPAC name is (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
PubChem CID840787
Molecular FormulaC11H10BrClN4O2
Molecular Weight345.58 g/mol
Exact Mass343.97
IUPAC Name(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nn2cc(Br)cnc2c1Cl)N1CCOCC1
InChIInChI=1S/C11H10BrClN4O2/c12-7-5-14-10-8(13)9(15-17(10)6-7)11(18)16-1-3-19-4-2-16/h5-6H,1-4H2
InChIKeyFXHGZHRIDSZIBA-UHFFFAOYSA-N
XLogP1.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (CID 840787) is (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is O=C(c1nn2cc(Br)cnc2c1Cl)N1CCOCC1.
What is the InChIKey of (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is FXHGZHRIDSZIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O2/c12-7-5-14-10-8(13)9(15-17(10)6-7)11(18)16-1-3-19-4-2-16/h5-6H,1-4H2.
What are the key properties of (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 345.58 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 840787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).