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

C20H16FN5O — CID 122510685

IUPAC6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)cn12
InChIInChI=1S/C20H16FN5O/c21-16-5-2-14(3-6-16)19-20(25(13-24-19)8-1-9-27)15-4-7-18-23-11-17(10-22)26(18)12-15/h2-7,11-13,27H,1,8-9H2
InChIKeySSBWXGUNQFOPOM-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.26
Rot. Bonds5

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

6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510685) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510685
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)cn12
InChIInChI=1S/C20H16FN5O/c21-16-5-2-14(3-6-16)19-20(25(13-24-19)8-1-9-27)15-4-7-18-23-11-17(10-22)26(18)12-15/h2-7,11-13,27H,1,8-9H2
InChIKeySSBWXGUNQFOPOM-UHFFFAOYSA-N
XLogP3.26
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.26
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-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510685) is 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)cn12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is SSBWXGUNQFOPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-5-2-14(3-6-16)19-20(25(13-24-19)8-1-9-27)15-4-7-18-23-11-17(10-22)26(18)12-15/h2-7,11-13,27H,1,8-9H2.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 361.38 g/mol, XLogP of 3.26, 5 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-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122510685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).