5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one

C17H21N5O3 — CID 137098545

IUPAC5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one
SMILESO=C(C[C@@H]1CNCCO1)N1CCc2nc(-c3ccc(=O)[nH]c3)[nH]c2C1
InChIInChI=1S/C17H21N5O3/c23-15-2-1-11(8-19-15)17-20-13-3-5-22(10-14(13)21-17)16(24)7-12-9-18-4-6-25-12/h1-2,8,12,18H,3-7,9-10H2,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyYQWSOFOHOIFFDL-GFCCVEGCSA-N
MW343.39 g/mol
LogP0.03
Rot. Bonds3

About 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one

5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one (PubChem CID 137098545) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one
PubChem CID137098545
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one
SMILESO=C(C[C@@H]1CNCCO1)N1CCc2nc(-c3ccc(=O)[nH]c3)[nH]c2C1
InChIInChI=1S/C17H21N5O3/c23-15-2-1-11(8-19-15)17-20-13-3-5-22(10-14(13)21-17)16(24)7-12-9-18-4-6-25-12/h1-2,8,12,18H,3-7,9-10H2,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyYQWSOFOHOIFFDL-GFCCVEGCSA-N
XLogP0.03
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.03
H-Bond Donors ≤ 53
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
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97438500
5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 136742884
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 99931364
1-cyclopropyl-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 119788577
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91767992
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
CID 72931543
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70726575
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 70713784
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 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) is 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one is O=C(C[C@@H]1CNCCO1)N1CCc2nc(-c3ccc(=O)[nH]c3)[nH]c2C1.
What is the InChIKey of 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one?
The InChIKey is YQWSOFOHOIFFDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-15-2-1-11(8-19-15)17-20-13-3-5-22(10-14(13)21-17)16(24)7-12-9-18-4-6-25-12/h1-2,8,12,18H,3-7,9-10H2,(H,19,23)(H,20,21)/t12-/m1/s1.
What are the key properties of 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one?
5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one has a molecular weight of 343.39 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137098545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).