cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone

C15H19N5O — CID 134797317

IUPACcyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CC1)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H19N5O/c21-15(12-2-3-12)19-9-1-8-18(10-11-19)14-5-6-16-13-4-7-17-20(13)14/h4-7,12H,1-3,8-11H2
InChIKeyVROGXADFJYGXBG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.18
Rot. Bonds2

About cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone

cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone (PubChem CID 134797317) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone
PubChem CID134797317
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Namecyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CC1)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H19N5O/c21-15(12-2-3-12)19-9-1-8-18(10-11-19)14-5-6-16-13-4-7-17-20(13)14/h4-7,12H,1-3,8-11H2
InChIKeyVROGXADFJYGXBG-UHFFFAOYSA-N
XLogP1.18
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone (CID 134797317) is cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone is O=C(C1CC1)N1CCCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is VROGXADFJYGXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(12-2-3-12)19-9-1-8-18(10-11-19)14-5-6-16-13-4-7-17-20(13)14/h4-7,12H,1-3,8-11H2.
What are the key properties of cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone?
cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 134797317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).