8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole

C23H23FN4O — CID 123658407

IUPAC8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole
SMILESCCOc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1
InChIInChI=1S/C23H23FN4O/c1-2-29-19-4-5-20-21(14-19)28-12-7-16(13-23(28)26-20)17-3-6-22(25-15-17)27-10-8-18(24)9-11-27/h3-7,12-15,18H,2,8-11H2,1H3
InChIKeyILJPSEZNGCZLFA-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.89
Rot. Bonds4

About 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole

8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole (PubChem CID 123658407) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole
PubChem CID123658407
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole
SMILESCCOc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1
InChIInChI=1S/C23H23FN4O/c1-2-29-19-4-5-20-21(14-19)28-12-7-16(13-23(28)26-20)17-3-6-22(25-15-17)27-10-8-18(24)9-11-27/h3-7,12-15,18H,2,8-11H2,1H3
InChIKeyILJPSEZNGCZLFA-UHFFFAOYSA-N
XLogP4.89
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Crenolanib
CID 10366136
Raf265
CID 11656518
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Omeprazole sulfenamide
CID 5311467
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509
5-Substituted 1-Phenylbenzimidazole 20
CID 5328510

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole?
The IUPAC name of 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole (CID 123658407) is 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole?
The canonical SMILES for 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole is CCOc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1.
What is the InChIKey of 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole?
The InChIKey is ILJPSEZNGCZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-2-29-19-4-5-20-21(14-19)28-12-7-16(13-23(28)26-20)17-3-6-22(25-15-17)27-10-8-18(24)9-11-27/h3-7,12-15,18H,2,8-11H2,1H3.
What are the key properties of 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole?
8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole has a molecular weight of 390.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 123658407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).