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

C27H35N5O2 — CID 26278368

IUPAC[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
SMILESCOc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)c1
InChIInChI=1S/C27H35N5O2/c1-30-16-4-3-10-24(30)27(33)31-17-13-21(14-18-31)32-25(29-23-9-6-15-28-26(23)32)12-11-20-7-5-8-22(19-20)34-2/h5-9,15,19,21,24H,3-4,10-14,16-18H2,1-2H3/t24-/m0/s1
InChIKeyMNLVRWBDLWJUIM-DEOSSOPVSA-N
MW461.61 g/mol
LogP3.87
Rot. Bonds6

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

[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone (PubChem CID 26278368) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
PubChem CID26278368
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
SMILESCOc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)c1
InChIInChI=1S/C27H35N5O2/c1-30-16-4-3-10-24(30)27(33)31-17-13-21(14-18-31)32-25(29-23-9-6-15-28-26(23)32)12-11-20-7-5-8-22(19-20)34-2/h5-9,15,19,21,24H,3-4,10-14,16-18H2,1-2H3/t24-/m0/s1
InChIKeyMNLVRWBDLWJUIM-DEOSSOPVSA-N
XLogP3.87
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
[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-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
[(4S)-2,2-dimethyloxan-4-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484058
3-(1H-imidazol-5-yl)-1-[4-[2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 171138300
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
The IUPAC name of [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone (CID 26278368) is [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone.
What is the SMILES notation for [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
The canonical SMILES for [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone is COc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)c1.
What is the InChIKey of [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
The InChIKey is MNLVRWBDLWJUIM-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-30-16-4-3-10-24(30)27(33)31-17-13-21(14-18-31)32-25(29-23-9-6-15-28-26(23)32)12-11-20-7-5-8-22(19-20)34-2/h5-9,15,19,21,24H,3-4,10-14,16-18H2,1-2H3/t24-/m0/s1.
What are the key properties of [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone has a molecular weight of 461.61 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone is sourced from PubChem (CID 26278368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).