3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine

C21H22FN5O — CID 141418362

IUPAC3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine
SMILESCC(C)OCCN1C=C(c2nc3ccncc3n2-c2ccc(F)cc2)C=NC1
InChIInChI=1S/C21H22FN5O/c1-15(2)28-10-9-26-13-16(11-24-14-26)21-25-19-7-8-23-12-20(19)27(21)18-5-3-17(22)4-6-18/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyBMUKUIHHPPBECA-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.67
Rot. Bonds6

About 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine

3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine (PubChem CID 141418362) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine
PubChem CID141418362
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine
SMILESCC(C)OCCN1C=C(c2nc3ccncc3n2-c2ccc(F)cc2)C=NC1
InChIInChI=1S/C21H22FN5O/c1-15(2)28-10-9-26-13-16(11-24-14-26)21-25-19-7-8-23-12-20(19)27(21)18-5-3-17(22)4-6-18/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyBMUKUIHHPPBECA-UHFFFAOYSA-N
XLogP3.67
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine (CID 141418362) is 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine is CC(C)OCCN1C=C(c2nc3ccncc3n2-c2ccc(F)cc2)C=NC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine?
The InChIKey is BMUKUIHHPPBECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-15(2)28-10-9-26-13-16(11-24-14-26)21-25-19-7-8-23-12-20(19)27(21)18-5-3-17(22)4-6-18/h3-8,11-13,15H,9-10,14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine?
3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine has a molecular weight of 379.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[1-(2-propan-2-yloxyethyl)-2H-pyrimidin-5-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 141418362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).