2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C19H20F2N4O2 — CID 92568212

IUPAC2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1
InChIInChI=1S/C19H20F2N4O2/c20-13-3-4-17(14(21)8-13)27-11-18(26)25-7-5-15-12(10-25)9-23-19(24-15)16-2-1-6-22-16/h3-4,8-9,16,22H,1-2,5-7,10-11H2/t16-/m1/s1
InChIKeyQSOSSONCTAOYJD-MRXNPFEDSA-N
MW374.39 g/mol
LogP2.14
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92568212) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92568212
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1
InChIInChI=1S/C19H20F2N4O2/c20-13-3-4-17(14(21)8-13)27-11-18(26)25-7-5-15-12(10-25)9-23-19(24-15)16-2-1-6-22-16/h3-4,8-9,16,22H,1-2,5-7,10-11H2/t16-/m1/s1
InChIKeyQSOSSONCTAOYJD-MRXNPFEDSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92568212) is 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is O=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is QSOSSONCTAOYJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-13-3-4-17(14(21)8-13)27-11-18(26)25-7-5-15-12(10-25)9-23-19(24-15)16-2-1-6-22-16/h3-4,8-9,16,22H,1-2,5-7,10-11H2/t16-/m1/s1.
What are the key properties of 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92568212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).