[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone

C28H30N4O3 — CID 124987598

IUPAC[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCC[C@H](Cc3cccn4ccnc34)CC2)ccc1OCc1ccccn1
InChIInChI=1S/C28H30N4O3/c1-34-26-19-23(9-10-25(26)35-20-24-8-2-3-12-29-24)28(33)32-15-4-6-21(11-16-32)18-22-7-5-14-31-17-13-30-27(22)31/h2-3,5,7-10,12-14,17,19,21H,4,6,11,15-16,18,20H2,1H3/t21-/m0/s1
InChIKeyOHDMGHYOPUGZGG-NRFANRHFSA-N
MW470.57 g/mol
LogP4.80
Rot. Bonds7

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

[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 124987598) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID124987598
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCC[C@H](Cc3cccn4ccnc34)CC2)ccc1OCc1ccccn1
InChIInChI=1S/C28H30N4O3/c1-34-26-19-23(9-10-25(26)35-20-24-8-2-3-12-29-24)28(33)32-15-4-6-21(11-16-32)18-22-7-5-14-31-17-13-30-27(22)31/h2-3,5,7-10,12-14,17,19,21H,4,6,11,15-16,18,20H2,1H3/t21-/m0/s1
InChIKeyOHDMGHYOPUGZGG-NRFANRHFSA-N
XLogP4.80
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R)-4-(1H-indazol-4-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone
CID 125009680
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955152
[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-[(4S)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylmethyl)azepan-1-yl]methanone
CID 125023205
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124949141
[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-[(6R)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125008325
methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 124986654
(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 91781151
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
[4-(imidazo[1,2-b]pyridazin-6-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 110150941
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
CID 94797465

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone (CID 124987598) is [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone is COc1cc(C(=O)N2CCC[C@H](Cc3cccn4ccnc34)CC2)ccc1OCc1ccccn1.
What is the InChIKey of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is OHDMGHYOPUGZGG-NRFANRHFSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-26-19-23(9-10-25(26)35-20-24-8-2-3-12-29-24)28(33)32-15-4-6-21(11-16-32)18-22-7-5-14-31-17-13-30-27(22)31/h2-3,5,7-10,12-14,17,19,21H,4,6,11,15-16,18,20H2,1H3/t21-/m0/s1.
What are the key properties of [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone?
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 470.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 124987598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).