4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

C51H42N8O6 — CID 159247445

IUPAC4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(CO)c4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(O)c4)cn23)cc1
InChIInChI=1S/C26H22N4O3.C25H20N4O3/c27-14-18-1-3-19(4-2-18)24-15-28-25-8-6-21(16-30(24)25)20-5-7-23(22(13-20)17-31)26(32)29-9-11-33-12-10-29;26-14-17-1-3-18(4-2-17)22-15-27-24-8-6-20(16-29(22)24)19-5-7-21(23(30)13-19)25(31)28-9-11-32-12-10-28/h1-8,13,15-16,31H,9-12,17H2;1-8,13,15-16,30H,9-12H2
InChIKeyKUVZKFOJZOMCPL-UHFFFAOYSA-N
MW862.95 g/mol
LogP7.22
Rot. Bonds7

About 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 159247445) has the molecular formula C51H42N8O6 and a molecular weight of 862.95 g/mol. Its IUPAC name is 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
PubChem CID159247445
Molecular FormulaC51H42N8O6
Molecular Weight862.95 g/mol
Exact Mass862.32
IUPAC Name4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(CO)c4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(O)c4)cn23)cc1
InChIInChI=1S/C26H22N4O3.C25H20N4O3/c27-14-18-1-3-19(4-2-18)24-15-28-25-8-6-21(16-30(24)25)20-5-7-23(22(13-20)17-31)26(32)29-9-11-33-12-10-29;26-14-17-1-3-18(4-2-17)22-15-27-24-8-6-20(16-29(22)24)19-5-7-21(23(30)13-19)25(31)28-9-11-32-12-10-28/h1-8,13,15-16,31H,9-12,17H2;1-8,13,15-16,30H,9-12H2
InChIKeyKUVZKFOJZOMCPL-UHFFFAOYSA-N
XLogP7.22
TPSA181.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.95
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile with MolForge

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Related Compounds

tert-butyl 4-[5-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate
CID 134504949
N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide
CID 130331388
4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 130331359
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 145052109
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
CID 17465828
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 134505023
[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 137408377
[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 148982256
4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine
CID 134179285
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
[4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorophenyl]-morpholin-4-ylmethanone
CID 58522767
3-[6-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenol
CID 155564699

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 159247445) is 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(CO)c4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(O)c4)cn23)cc1.
What is the InChIKey of 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The InChIKey is KUVZKFOJZOMCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3.C25H20N4O3/c27-14-18-1-3-19(4-2-18)24-15-28-25-8-6-21(16-30(24)25)20-5-7-23(22(13-20)17-31)26(32)29-9-11-33-12-10-29;26-14-17-1-3-18(4-2-17)22-15-27-24-8-6-20(16-29(22)24)19-5-7-21(23(30)13-19)25(31)28-9-11-32-12-10-28/h1-8,13,15-16,31H,9-12,17H2;1-8,13,15-16,30H,9-12H2.
What are the key properties of 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 862.95 g/mol, XLogP of 7.22, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 159247445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).