6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C20H16FN5O — CID 122510428

IUPAC6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C20H16FN5O/c1-13(11-27)26-12-24-19(14-2-5-16(21)6-3-14)20(26)15-4-7-18-23-9-17(8-22)25(18)10-15/h2-7,9-10,12-13,27H,11H2,1H3
InChIKeyRENRLZJNMMGMGN-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.43
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510428) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510428
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C20H16FN5O/c1-13(11-27)26-12-24-19(14-2-5-16(21)6-3-14)20(26)15-4-7-18-23-9-17(8-22)25(18)10-15/h2-7,9-10,12-13,27H,11H2,1H3
InChIKeyRENRLZJNMMGMGN-UHFFFAOYSA-N
XLogP3.43
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510428) is 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is RENRLZJNMMGMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-13(11-27)26-12-24-19(14-2-5-16(21)6-3-14)20(26)15-4-7-18-23-9-17(8-22)25(18)10-15/h2-7,9-10,12-13,27H,11H2,1H3.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 361.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(1-hydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122510428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).