(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

C23H23F2N7OS — CID 90676047

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCc1ncc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cn1
InChIInChI=1S/C23H23F2N7OS/c1-14(23(33,11-32-13-26-12-29-32)18-4-3-17(24)7-19(18)25)31-6-5-20-21(10-31)34-22(30-20)16-8-27-15(2)28-9-16/h3-4,7-9,12-14,33H,5-6,10-11H2,1-2H3/t14-,23-/m1/s1
InChIKeyWPHXBTGPLWEWAZ-QKFKETGDSA-N
MW483.55 g/mol
LogP3.11
Rot. Bonds6

About (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 90676047) has the molecular formula C23H23F2N7OS and a molecular weight of 483.55 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID90676047
Molecular FormulaC23H23F2N7OS
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCc1ncc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cn1
InChIInChI=1S/C23H23F2N7OS/c1-14(23(33,11-32-13-26-12-29-32)18-4-3-17(24)7-19(18)25)31-6-5-20-21(10-31)34-22(30-20)16-8-27-15(2)28-9-16/h3-4,7-9,12-14,33H,5-6,10-11H2,1-2H3/t14-,23-/m1/s1
InChIKeyWPHXBTGPLWEWAZ-QKFKETGDSA-N
XLogP3.11
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 90676047) is (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is Cc1ncc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cn1.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is WPHXBTGPLWEWAZ-QKFKETGDSA-N. The full InChI is InChI=1S/C23H23F2N7OS/c1-14(23(33,11-32-13-26-12-29-32)18-4-3-17(24)7-19(18)25)31-6-5-20-21(10-31)34-22(30-20)16-8-27-15(2)28-9-16/h3-4,7-9,12-14,33H,5-6,10-11H2,1-2H3/t14-,23-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 483.55 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 90676047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).