4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile

C22H14FN5O — CID 90313137

IUPAC4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1
InChIInChI=1S/C22H14FN5O/c23-20-9-14(5-6-18(20)15-12-27-22(25)28-13-15)19-3-1-2-4-21(19)29-17-7-8-26-16(10-17)11-24/h1-10,12-13H,(H2,25,27,28)
InChIKeyQJPARNKXHRSTEK-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.59
Rot. Bonds4

About 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile

4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile (PubChem CID 90313137) has the molecular formula C22H14FN5O and a molecular weight of 383.39 g/mol. Its IUPAC name is 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile
PubChem CID90313137
Molecular FormulaC22H14FN5O
Molecular Weight383.39 g/mol
Exact Mass383.12
IUPAC Name4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1
InChIInChI=1S/C22H14FN5O/c23-20-9-14(5-6-18(20)15-12-27-22(25)28-13-15)19-3-1-2-4-21(19)29-17-7-8-26-16(10-17)11-24/h1-10,12-13H,(H2,25,27,28)
InChIKeyQJPARNKXHRSTEK-UHFFFAOYSA-N
XLogP4.59
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile (CID 90313137) is 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile is N#Cc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1.
What is the InChIKey of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile?
The InChIKey is QJPARNKXHRSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O/c23-20-9-14(5-6-18(20)15-12-27-22(25)28-13-15)19-3-1-2-4-21(19)29-17-7-8-26-16(10-17)11-24/h1-10,12-13H,(H2,25,27,28).
What are the key properties of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile?
4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile has a molecular weight of 383.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 90313137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).