[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

C27H30N4O4 — CID 42484331

IUPAC[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(n3c(CCc4cccc(OC)c4)nc4cccnc43)CC2)o1
InChIInChI=1S/C27H30N4O4/c1-33-18-22-9-10-24(35-22)27(32)30-15-12-20(13-16-30)31-25(29-23-7-4-14-28-26(23)31)11-8-19-5-3-6-21(17-19)34-2/h3-7,9-10,14,17,20H,8,11-13,15-16,18H2,1-2H3
InChIKeyXNWSNMOEONWTIZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.44
Rot. Bonds8

About [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 42484331) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID42484331
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(n3c(CCc4cccc(OC)c4)nc4cccnc43)CC2)o1
InChIInChI=1S/C27H30N4O4/c1-33-18-22-9-10-24(35-22)27(32)30-15-12-20(13-16-30)31-25(29-23-7-4-14-28-26(23)31)11-8-19-5-3-6-21(17-19)34-2/h3-7,9-10,14,17,20H,8,11-13,15-16,18H2,1-2H3
InChIKeyXNWSNMOEONWTIZ-UHFFFAOYSA-N
XLogP4.44
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)furan-2-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42167277
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42451966
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 42479444
[4-[2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42276581
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 95826190
[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42429133

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 42484331) is [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCC(n3c(CCc4cccc(OC)c4)nc4cccnc43)CC2)o1.
What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is XNWSNMOEONWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-33-18-22-9-10-24(35-22)27(32)30-15-12-20(13-16-30)31-25(29-23-7-4-14-28-26(23)31)11-8-19-5-3-6-21(17-19)34-2/h3-7,9-10,14,17,20H,8,11-13,15-16,18H2,1-2H3.
What are the key properties of [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 474.56 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).