[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone

C18H22N4O2 — CID 72931543

IUPAC[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(-c2nc3c([nH]2)CN(C(=O)C2CCNC2)CC3)cc1
InChIInChI=1S/C18H22N4O2/c1-24-14-4-2-12(3-5-14)17-20-15-7-9-22(11-16(15)21-17)18(23)13-6-8-19-10-13/h2-5,13,19H,6-11H2,1H3,(H,20,21)
InChIKeyBCXLMRMXXBUJPZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.58
Rot. Bonds3

About [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone

[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone (PubChem CID 72931543) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
PubChem CID72931543
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(-c2nc3c([nH]2)CN(C(=O)C2CCNC2)CC3)cc1
InChIInChI=1S/C18H22N4O2/c1-24-14-4-2-12(3-5-14)17-20-15-7-9-22(11-16(15)21-17)18(23)13-6-8-19-10-13/h2-5,13,19H,6-11H2,1H3,(H,20,21)
InChIKeyBCXLMRMXXBUJPZ-UHFFFAOYSA-N
XLogP1.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 99931364
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97438500
(2S)-2-ethylsulfanyl-1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 97435799
[(1R,3S)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 133135286
(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one
CID 97434224
[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77082228
1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 72895390
2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 72908659
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124680303
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
N-cyclohexyl-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 91776186
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone (CID 72931543) is [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone is COc1ccc(-c2nc3c([nH]2)CN(C(=O)C2CCNC2)CC3)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is BCXLMRMXXBUJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-14-4-2-12(3-5-14)17-20-15-7-9-22(11-16(15)21-17)18(23)13-6-8-19-10-13/h2-5,13,19H,6-11H2,1H3,(H,20,21).
What are the key properties of [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone?
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 72931543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).