(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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

C23H23F2N7O2S — CID 90676048

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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
SMILESCOc1ncc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cn1
InChIInChI=1S/C23H23F2N7O2S/c1-14(23(33,11-32-13-26-12-29-32)17-4-3-16(24)7-18(17)25)31-6-5-19-20(10-31)35-21(30-19)15-8-27-22(34-2)28-9-15/h3-4,7-9,12-14,33H,5-6,10-11H2,1-2H3/t14-,23-/m1/s1
InChIKeyVLVSSLAUZPDPGV-QKFKETGDSA-N
MW499.55 g/mol
LogP2.81
Rot. Bonds7

About (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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-methoxypyrimidin-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 90676048) has the molecular formula C23H23F2N7O2S and a molecular weight of 499.55 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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-methoxypyrimidin-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 CID90676048
Molecular FormulaC23H23F2N7O2S
Molecular Weight499.55 g/mol
Exact Mass499.16
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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
SMILESCOc1ncc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cn1
InChIInChI=1S/C23H23F2N7O2S/c1-14(23(33,11-32-13-26-12-29-32)17-4-3-16(24)7-18(17)25)31-6-5-19-20(10-31)35-21(30-19)15-8-27-22(34-2)28-9-15/h3-4,7-9,12-14,33H,5-6,10-11H2,1-2H3/t14-,23-/m1/s1
InChIKeyVLVSSLAUZPDPGV-QKFKETGDSA-N
XLogP2.81
TPSA102.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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-methoxypyrimidin-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-methoxypyrimidin-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 90676048) is (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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-methoxypyrimidin-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-methoxypyrimidin-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 COc1ncc(-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-methoxypyrimidin-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 VLVSSLAUZPDPGV-QKFKETGDSA-N. The full InChI is InChI=1S/C23H23F2N7O2S/c1-14(23(33,11-32-13-26-12-29-32)17-4-3-16(24)7-18(17)25)31-6-5-19-20(10-31)35-21(30-19)15-8-27-22(34-2)28-9-15/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-methoxypyrimidin-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-methoxypyrimidin-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 499.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methoxypyrimidin-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 90676048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).