2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine

C33H31N3O4 — CID 44518260

IUPAC2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2nc3ncccc3[nH]2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C33H31N3O4/c1-4-11-24(12-5-1)19-37-23-29-31(40-21-26-15-8-3-9-16-26)30(39-20-25-13-6-2-7-14-25)27(22-38-29)32-35-28-17-10-18-34-33(28)36-32/h1-18,22,29-31H,19-21,23H2,(H,34,35,36)/t29-,30-,31-/m1/s1
InChIKeyLWHFBHGXOCQTOM-JFHPUIQFSA-N
MW533.63 g/mol
LogP6.09
Rot. Bonds11

About 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine

2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 44518260) has the molecular formula C33H31N3O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID44518260
Molecular FormulaC33H31N3O4
Molecular Weight533.63 g/mol
Exact Mass533.23
IUPAC Name2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2nc3ncccc3[nH]2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C33H31N3O4/c1-4-11-24(12-5-1)19-37-23-29-31(40-21-26-15-8-3-9-16-26)30(39-20-25-13-6-2-7-14-25)27(22-38-29)32-35-28-17-10-18-34-33(28)36-32/h1-18,22,29-31H,19-21,23H2,(H,34,35,36)/t29-,30-,31-/m1/s1
InChIKeyLWHFBHGXOCQTOM-JFHPUIQFSA-N
XLogP6.09
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 85318993
[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methanol
CID 102479645
[(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methanol
CID 102008999
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
CID 73085234
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(prop-2-ynoxymethyl)-3,4-dihydro-2H-pyran
CID 24755919
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(2R,3S,4R)-N-octadecyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 132534496
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole
CID 11296656
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine (CID 44518260) is 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine is C1=C(c2nc3ncccc3[nH]2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LWHFBHGXOCQTOM-JFHPUIQFSA-N. The full InChI is InChI=1S/C33H31N3O4/c1-4-11-24(12-5-1)19-37-23-29-31(40-21-26-15-8-3-9-16-26)30(39-20-25-13-6-2-7-14-25)27(22-38-29)32-35-28-17-10-18-34-33(28)36-32/h1-18,22,29-31H,19-21,23H2,(H,34,35,36)/t29-,30-,31-/m1/s1.
What are the key properties of 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine?
2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 533.63 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 44518260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).