(2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol

C17H19F2N3O4 — CID 171558511

IUPAC(2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccccc2)[C@H](Nc2cncc(C(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H19F2N3O4/c18-17(19)10-6-20-7-12(21-10)22-13-15(25)14(24)11(8-23)26-16(13)9-4-2-1-3-5-9/h1-7,11,13-17,23-25H,8H2,(H,21,22)/t11-,13-,14+,15-,16+/m1/s1
InChIKeyPODQTJIGUAYBBO-JZYAIQKZSA-N
MW367.35 g/mol
LogP1.05
Rot. Bonds5

About (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol

(2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol (PubChem CID 171558511) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol
PubChem CID171558511
Molecular FormulaC17H19F2N3O4
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name(2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccccc2)[C@H](Nc2cncc(C(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H19F2N3O4/c18-17(19)10-6-20-7-12(21-10)22-13-15(25)14(24)11(8-23)26-16(13)9-4-2-1-3-5-9/h1-7,11,13-17,23-25H,8H2,(H,21,22)/t11-,13-,14+,15-,16+/m1/s1
InChIKeyPODQTJIGUAYBBO-JZYAIQKZSA-N
XLogP1.05
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9790230, Example 30
CID 129115605
US9790230, Example 22
CID 129115640
N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 156081877
N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 156081921
N-[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221512
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-3-(trifluoromethyl)pyrazin-2-amine
CID 167221768
2-[4-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxymethyl]phenoxy]acetic acid
CID 167221970
benzyl 2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]-2-oxoethoxy]ethoxy]acetate
CID 167221983
N-[(3S,4R,5R,6R)-5-butoxy-6-(butoxymethyl)-4-phenylmethoxyoxan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 168087388
(3-Piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 170161751
(2R,3R,4R,5R,6R)-3-benzyl-2-tert-butyl-2-(hydroxymethyl)-6-(2-methoxyethoxy)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 170982644
(2R,3R,4R,5R,6S)-3-benzyl-2-tert-butyl-2-(hydroxymethyl)-6-prop-2-enoxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 170982669

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol (CID 171558511) is (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol is OC[C@H]1O[C@@H](c2ccccc2)[C@H](Nc2cncc(C(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol?
The InChIKey is PODQTJIGUAYBBO-JZYAIQKZSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c18-17(19)10-6-20-7-12(21-10)22-13-15(25)14(24)11(8-23)26-16(13)9-4-2-1-3-5-9/h1-7,11,13-17,23-25H,8H2,(H,21,22)/t11-,13-,14+,15-,16+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol?
(2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol has a molecular weight of 367.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-5-[[6-(difluoromethyl)pyrazin-2-yl]amino]-2-(hydroxymethyl)-6-phenyloxane-3,4-diol is sourced from PubChem (CID 171558511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).