(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C15H14BrN5O2 — CID 59663094

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2c(o1)CCN(C(=O)c1cc3ncc(Br)cn3n1)C2C
InChIInChI=1S/C15H14BrN5O2/c1-8-14-12(23-9(2)18-14)3-4-20(8)15(22)11-5-13-17-6-10(16)7-21(13)19-11/h5-8H,3-4H2,1-2H3
InChIKeyKSZKXYVFUUITKS-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 59663094) has the molecular formula C15H14BrN5O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID59663094
Molecular FormulaC15H14BrN5O2
Molecular Weight376.21 g/mol
Exact Mass375.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2c(o1)CCN(C(=O)c1cc3ncc(Br)cn3n1)C2C
InChIInChI=1S/C15H14BrN5O2/c1-8-14-12(23-9(2)18-14)3-4-20(8)15(22)11-5-13-17-6-10(16)7-21(13)19-11/h5-8H,3-4H2,1-2H3
InChIKeyKSZKXYVFUUITKS-UHFFFAOYSA-N
XLogP2.55
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 59663094) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is Cc1nc2c(o1)CCN(C(=O)c1cc3ncc(Br)cn3n1)C2C.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is KSZKXYVFUUITKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2/c1-8-14-12(23-9(2)18-14)3-4-20(8)15(22)11-5-13-17-6-10(16)7-21(13)19-11/h5-8H,3-4H2,1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 376.21 g/mol, XLogP of 2.55, 1 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-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 59663094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).