2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone

C14H19N5O2 — CID 134799338

IUPAC2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone
SMILESCOCC(=O)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H19N5O2/c1-21-11-14(20)18-8-2-7-17(9-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6H,2,7-11H2,1H3
InChIKeyXOGNGUXMIQFUGZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.41
Rot. Bonds3

About 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone

2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 134799338) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone
PubChem CID134799338
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone
SMILESCOCC(=O)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H19N5O2/c1-21-11-14(20)18-8-2-7-17(9-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6H,2,7-11H2,1H3
InChIKeyXOGNGUXMIQFUGZ-UHFFFAOYSA-N
XLogP0.41
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone (CID 134799338) is 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone is COCC(=O)N1CCCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is XOGNGUXMIQFUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-11-14(20)18-8-2-7-17(9-10-18)13-4-5-15-12-3-6-16-19(12)13/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone?
2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 289.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 134799338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).