[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone

C27H33N3O2 — CID 124946519

IUPAC[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
SMILESCc1cccc(C2(C(=O)N3CCC[C@H](Cc4cccn5ccnc45)CC3)CCOCC2)c1
InChIInChI=1S/C27H33N3O2/c1-21-5-2-8-24(19-21)27(10-17-32-18-11-27)26(31)30-14-3-6-22(9-15-30)20-23-7-4-13-29-16-12-28-25(23)29/h2,4-5,7-8,12-13,16,19,22H,3,6,9-11,14-15,17-18,20H2,1H3/t22-/m0/s1
InChIKeyBYTORIBVQOERJS-QFIPXVFZSA-N
MW431.58 g/mol
LogP4.56
Rot. Bonds4

About [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone

[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone (PubChem CID 124946519) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
PubChem CID124946519
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
SMILESCc1cccc(C2(C(=O)N3CCC[C@H](Cc4cccn5ccnc45)CC3)CCOCC2)c1
InChIInChI=1S/C27H33N3O2/c1-21-5-2-8-24(19-21)27(10-17-32-18-11-27)26(31)30-14-3-6-22(9-15-30)20-23-7-4-13-29-16-12-28-25(23)29/h2,4-5,7-8,12-13,16,19,22H,3,6,9-11,14-15,17-18,20H2,1H3/t22-/m0/s1
InChIKeyBYTORIBVQOERJS-QFIPXVFZSA-N
XLogP4.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone 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

[4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 155984435
[4-(isoquinolin-8-ylmethyl)azepan-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149312
[4-(3-fluorophenyl)oxan-4-yl]-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 125004099
[4-(3,5-dimethylphenyl)oxan-4-yl]-[4-(imidazo[1,2-b]pyridazin-6-ylmethyl)azepan-1-yl]methanone
CID 110150306
[4-(3-methylphenyl)oxan-4-yl]-[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110149466
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 124986654
[6-(isoquinolin-8-ylmethyl)-1,4-oxazepan-4-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 155984439
[(4S)-4-(isoquinolin-7-ylmethyl)azepan-1-yl]-(4-phenyloxan-4-yl)methanone
CID 124977011
[4-(3-fluorophenyl)oxan-4-yl]-[(3R)-3-(quinolin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 124959794
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124949141
[4-(4-methylphenyl)oxan-4-yl]-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125006077
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
The IUPAC name of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone (CID 124946519) is [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone.
What is the SMILES notation for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
The canonical SMILES for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone is Cc1cccc(C2(C(=O)N3CCC[C@H](Cc4cccn5ccnc45)CC3)CCOCC2)c1.
What is the InChIKey of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
The InChIKey is BYTORIBVQOERJS-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-21-5-2-8-24(19-21)27(10-17-32-18-11-27)26(31)30-14-3-6-22(9-15-30)20-23-7-4-13-29-16-12-28-25(23)29/h2,4-5,7-8,12-13,16,19,22H,3,6,9-11,14-15,17-18,20H2,1H3/t22-/m0/s1.
What are the key properties of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone has a molecular weight of 431.58 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 124946519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).