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

C28H36N4O3 — CID 42451966

IUPAC[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)c1
InChIInChI=1S/C28H36N4O3/c1-28(2)19-21(13-17-35-28)27(33)31-15-11-22(12-16-31)32-25(30-24-8-5-14-29-26(24)32)10-9-20-6-4-7-23(18-20)34-3/h4-8,14,18,21-22H,9-13,15-17,19H2,1-3H3/t21-/m1/s1
InChIKeyBGYBCEXERXMWII-OAQYLSRUSA-N
MW476.62 g/mol
LogP4.59
Rot. Bonds6

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

[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 42451966) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID42451966
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)c1
InChIInChI=1S/C28H36N4O3/c1-28(2)19-21(13-17-35-28)27(33)31-15-11-22(12-16-31)32-25(30-24-8-5-14-29-26(24)32)10-9-20-6-4-7-23(18-20)34-3/h4-8,14,18,21-22H,9-13,15-17,19H2,1-3H3/t21-/m1/s1
InChIKeyBGYBCEXERXMWII-OAQYLSRUSA-N
XLogP4.59
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4R)-2,2-dimethyloxan-4-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

[(4S)-2,2-dimethyloxan-4-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484058
[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42483716
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
[5-(methoxymethyl)furan-2-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42167277
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
[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
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [(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) is [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is COc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)c1.
What is the InChIKey of [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is BGYBCEXERXMWII-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-28(2)19-21(13-17-35-28)27(33)31-15-11-22(12-16-31)32-25(30-24-8-5-14-29-26(24)32)10-9-20-6-4-7-23(18-20)34-3/h4-8,14,18,21-22H,9-13,15-17,19H2,1-3H3/t21-/m1/s1.
What are the key properties of [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 476.62 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42451966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).