1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone

C19H24N4O3 — CID 97438500

IUPAC1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
SMILESCOc1ccc(-c2nc3c([nH]2)CN(C(=O)C[C@H]2CNCCO2)CC3)cc1
InChIInChI=1S/C19H24N4O3/c1-25-14-4-2-13(3-5-14)19-21-16-6-8-23(12-17(16)22-19)18(24)10-15-11-20-7-9-26-15/h2-5,15,20H,6-12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyKCOGRMJTYFVLPJ-HNNXBMFYSA-N
MW356.43 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone

1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone (PubChem CID 97438500) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
PubChem CID97438500
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
SMILESCOc1ccc(-c2nc3c([nH]2)CN(C(=O)C[C@H]2CNCCO2)CC3)cc1
InChIInChI=1S/C19H24N4O3/c1-25-14-4-2-13(3-5-14)19-21-16-6-8-23(12-17(16)22-19)18(24)10-15-11-20-7-9-26-15/h2-5,15,20H,6-12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyKCOGRMJTYFVLPJ-HNNXBMFYSA-N
XLogP1.35
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride
CID 154901124
5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one
CID 137098545
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
CID 72931543
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 70713784
(2S)-2-ethylsulfanyl-1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 97435799
2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 72908659
1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 72895390
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 99931364
(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one
CID 97434224
4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91767992
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone (CID 97438500) is 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone is COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[C@H]2CNCCO2)CC3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone?
The InChIKey is KCOGRMJTYFVLPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-14-4-2-13(3-5-14)19-21-16-6-8-23(12-17(16)22-19)18(24)10-15-11-20-7-9-26-15/h2-5,15,20H,6-12H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone?
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone is sourced from PubChem (CID 97438500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).