4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile

C20H14FN5O2 — CID 122506662

IUPAC4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
InChIInChI=1S/C20H14FN5O2/c1-27-18-6-13(7-22)2-4-17(18)14-8-24-20-25-16(11-26(20)10-14)12-28-19-5-3-15(21)9-23-19/h2-6,8-11H,12H2,1H3
InChIKeyIQXACHPMRPBRCG-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.39
Rot. Bonds5

About 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile

4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile (PubChem CID 122506662) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile
PubChem CID122506662
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Name4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
InChIInChI=1S/C20H14FN5O2/c1-27-18-6-13(7-22)2-4-17(18)14-8-24-20-25-16(11-26(20)10-14)12-28-19-5-3-15(21)9-23-19/h2-6,8-11H,12H2,1H3
InChIKeyIQXACHPMRPBRCG-UHFFFAOYSA-N
XLogP3.39
TPSA85.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile?
The IUPAC name of 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile (CID 122506662) is 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile?
The canonical SMILES for 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile is COc1cc(C#N)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1.
What is the InChIKey of 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile?
The InChIKey is IQXACHPMRPBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c1-27-18-6-13(7-22)2-4-17(18)14-8-24-20-25-16(11-26(20)10-14)12-28-19-5-3-15(21)9-23-19/h2-6,8-11H,12H2,1H3.
What are the key properties of 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile?
4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile has a molecular weight of 375.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]-3-methoxybenzonitrile is sourced from PubChem (CID 122506662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).