(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol

C20H24N4O4 — CID 46875007

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol
SMILESCC(Cc1ccccc1)Nc1ccnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1
InChIKeyVNLORGGVQXIXRL-PBAUSWOHSA-N
MW384.44 g/mol
LogP1.09
Rot. Bonds6

About (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol (PubChem CID 46875007) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol
PubChem CID46875007
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol
SMILESCC(Cc1ccccc1)Nc1ccnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1
InChIKeyVNLORGGVQXIXRL-PBAUSWOHSA-N
XLogP1.09
TPSA112.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol (CID 46875007) is (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol is CC(Cc1ccccc1)Nc1ccnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol?
The InChIKey is VNLORGGVQXIXRL-PBAUSWOHSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol has a molecular weight of 384.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol is sourced from PubChem (CID 46875007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).