2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol

C20H18F2N4O2 — CID 121456042

IUPAC2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol
SMILESOCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H18F2N4O2/c21-15-9-14(10-18(19(15)22)28-8-7-27)26-6-4-16-13(12-26)11-24-20(25-16)17-3-1-2-5-23-17/h1-3,5,9-11,27H,4,6-8,12H2
InChIKeyCYQPPOIMUDDMSF-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.75
Rot. Bonds5

About 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol

2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol (PubChem CID 121456042) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol
PubChem CID121456042
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol
SMILESOCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H18F2N4O2/c21-15-9-14(10-18(19(15)22)28-8-7-27)26-6-4-16-13(12-26)11-24-20(25-16)17-3-1-2-5-23-17/h1-3,5,9-11,27H,4,6-8,12H2
InChIKeyCYQPPOIMUDDMSF-UHFFFAOYSA-N
XLogP2.75
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol?
The IUPAC name of 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol (CID 121456042) is 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol is OCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol?
The InChIKey is CYQPPOIMUDDMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-15-9-14(10-18(19(15)22)28-8-7-27)26-6-4-16-13(12-26)11-24-20(25-16)17-3-1-2-5-23-17/h1-3,5,9-11,27H,4,6-8,12H2.
What are the key properties of 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol?
2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol has a molecular weight of 384.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]ethanol is sourced from PubChem (CID 121456042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).