3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole

C15H19N5O2 — CID 86773155

IUPAC3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole
SMILESCOc1ncnc2c1CN(C(C)c1nc(C3CC3)no1)CC2
InChIInChI=1S/C15H19N5O2/c1-9(14-18-13(19-22-14)10-3-4-10)20-6-5-12-11(7-20)15(21-2)17-8-16-12/h8-10H,3-7H2,1-2H3
InChIKeyJUVUDYYCMHPZKQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.86
Rot. Bonds4

About 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 86773155) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole
PubChem CID86773155
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole
SMILESCOc1ncnc2c1CN(C(C)c1nc(C3CC3)no1)CC2
InChIInChI=1S/C15H19N5O2/c1-9(14-18-13(19-22-14)10-3-4-10)20-6-5-12-11(7-20)15(21-2)17-8-16-12/h8-10H,3-7H2,1-2H3
InChIKeyJUVUDYYCMHPZKQ-UHFFFAOYSA-N
XLogP1.86
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole (CID 86773155) is 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole is COc1ncnc2c1CN(C(C)c1nc(C3CC3)no1)CC2.
What is the InChIKey of 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is JUVUDYYCMHPZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9(14-18-13(19-22-14)10-3-4-10)20-6-5-12-11(7-20)15(21-2)17-8-16-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 301.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86773155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).