3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C20H23N5O2 — CID 167978497

IUPAC3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C2CN(C(=O)CCc3nc4ccncc4[nH]3)CCN2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-15-4-2-14(3-5-15)18-13-25(11-10-22-18)20(26)7-6-19-23-16-8-9-21-12-17(16)24-19/h2-5,8-9,12,18,22H,6-7,10-11,13H2,1H3,(H,23,24)
InChIKeyYELVBTVSOONUNW-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.07
Rot. Bonds5

About 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 167978497) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID167978497
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C2CN(C(=O)CCc3nc4ccncc4[nH]3)CCN2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-15-4-2-14(3-5-15)18-13-25(11-10-22-18)20(26)7-6-19-23-16-8-9-21-12-17(16)24-19/h2-5,8-9,12,18,22H,6-7,10-11,13H2,1H3,(H,23,24)
InChIKeyYELVBTVSOONUNW-UHFFFAOYSA-N
XLogP2.07
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 167768221
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one
CID 154847806
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 95455767
6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167806620
1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166263146
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
2-[1-hexanoyl-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid
CID 162801491
1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
CID 129211895
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119580091
3-(1H-benzimidazol-2-yl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70764362

Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 167978497) is 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(C2CN(C(=O)CCc3nc4ccncc4[nH]3)CCN2)cc1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is YELVBTVSOONUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-15-4-2-14(3-5-15)18-13-25(11-10-22-18)20(26)7-6-19-23-16-8-9-21-12-17(16)24-19/h2-5,8-9,12,18,22H,6-7,10-11,13H2,1H3,(H,23,24).
What are the key properties of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 365.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 167978497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).