[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone

C26H32N4O2 — CID 124986654

IUPAC[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccn3ccnc23)CC1
InChIInChI=1S/C26H32N4O2/c31-26(24-8-2-1-6-23(24)20-28-15-17-32-18-16-28)30-12-3-5-21(9-13-30)19-22-7-4-11-29-14-10-27-25(22)29/h1-2,4,6-8,10-11,14,21H,3,5,9,12-13,15-20H2/t21-/m0/s1
InChIKeyOADFBQYJVMFBPK-NRFANRHFSA-N
MW432.57 g/mol
LogP3.65
Rot. Bonds5

About [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone

[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 124986654) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID124986654
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccn3ccnc23)CC1
InChIInChI=1S/C26H32N4O2/c31-26(24-8-2-1-6-23(24)20-28-15-17-32-18-16-28)30-12-3-5-21(9-13-30)19-22-7-4-11-29-14-10-27-25(22)29/h1-2,4,6-8,10-11,14,21H,3,5,9,12-13,15-20H2/t21-/m0/s1
InChIKeyOADFBQYJVMFBPK-NRFANRHFSA-N
XLogP3.65
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 110149354
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 124946519
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124987598
imidazo[1,2-a]pyridin-8-yl(piperidin-1-yl)methanone
CID 110704345
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124949141
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 46955376
[2-(morpholin-4-ylmethyl)phenyl]-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
CID 99814762
2-[[6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 110111234
2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid
CID 129489773
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 125009206
1H-pyrazol-5-yl-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955498

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone (CID 124986654) is [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccn3ccnc23)CC1.
What is the InChIKey of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is OADFBQYJVMFBPK-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-26(24-8-2-1-6-23(24)20-28-15-17-32-18-16-28)30-12-3-5-21(9-13-30)19-22-7-4-11-29-14-10-27-25(22)29/h1-2,4,6-8,10-11,14,21H,3,5,9,12-13,15-20H2/t21-/m0/s1.
What are the key properties of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 124986654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).