[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C12H18N4O3 — CID 81202754

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2nc[nH]c2CN1)N1CCOC(CO)C1
InChIInChI=1S/C12H18N4O3/c17-6-8-5-16(1-2-19-8)12(18)10-3-9-11(4-13-10)15-7-14-9/h7-8,10,13,17H,1-6H2,(H,14,15)
InChIKeyFRNXMVCANGFEJL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.36
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 81202754) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID81202754
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2nc[nH]c2CN1)N1CCOC(CO)C1
InChIInChI=1S/C12H18N4O3/c17-6-8-5-16(1-2-19-8)12(18)10-3-9-11(4-13-10)15-7-14-9/h7-8,10,13,17H,1-6H2,(H,14,15)
InChIKeyFRNXMVCANGFEJL-UHFFFAOYSA-N
XLogP-1.36
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354184
[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025
[2-(hydroxymethyl)morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896735
(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219364
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79352116
(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219635
(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352607
[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203555
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 82752465
N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106116635
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366
3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one
CID 79354269

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 81202754) is [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is O=C(C1Cc2nc[nH]c2CN1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is FRNXMVCANGFEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-6-8-5-16(1-2-19-8)12(18)10-3-9-11(4-13-10)15-7-14-9/h7-8,10,13,17H,1-6H2,(H,14,15).
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 81202754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).