5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine

C23H22F2N4O — CID 135249457

IUPAC5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccc(-c3cnc4cccc(OC5CCC(F)(F)CC5)n34)cc2)cn1
InChIInChI=1S/C23H22F2N4O/c1-28-15-18(13-27-28)16-5-7-17(8-6-16)20-14-26-21-3-2-4-22(29(20)21)30-19-9-11-23(24,25)12-10-19/h2-8,13-15,19H,9-12H2,1H3
InChIKeyLHWWGNURTOJWSW-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.36
Rot. Bonds4

About 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine

5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 135249457) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID135249457
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccc(-c3cnc4cccc(OC5CCC(F)(F)CC5)n34)cc2)cn1
InChIInChI=1S/C23H22F2N4O/c1-28-15-18(13-27-28)16-5-7-17(8-6-16)20-14-26-21-3-2-4-22(29(20)21)30-19-9-11-23(24,25)12-10-19/h2-8,13-15,19H,9-12H2,1H3
InChIKeyLHWWGNURTOJWSW-UHFFFAOYSA-N
XLogP5.36
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate
CID 135240865
8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 135260537
ethyl 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylate
CID 135249439
3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 135260458
1-[4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135249544
N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine
CID 142403778
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-[(4,4-difluorocyclohexyl)methyl]-1-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenamine
CID 139448823
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137001359
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine (CID 135249457) is 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine is Cn1cc(-c2ccc(-c3cnc4cccc(OC5CCC(F)(F)CC5)n34)cc2)cn1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is LHWWGNURTOJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-28-15-18(13-27-28)16-5-7-17(8-6-16)20-14-26-21-3-2-4-22(29(20)21)30-19-9-11-23(24,25)12-10-19/h2-8,13-15,19H,9-12H2,1H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine?
5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 408.45 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135249457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).