(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

C23H24F2N8O2 — CID 90676038

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCOc1ccc(-c2nc3n(n2)CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C3)cn1
InChIInChI=1S/C23H24F2N8O2/c1-15(23(34,12-32-14-26-13-28-32)18-5-4-17(24)9-19(18)25)31-7-8-33-20(11-31)29-22(30-33)16-3-6-21(35-2)27-10-16/h3-6,9-10,13-15,34H,7-8,11-12H2,1-2H3/t15-,23-/m1/s1
InChIKeyFWEAPTRZNHGPSC-IQMFZBJNSA-N
MW482.50 g/mol
LogP2.01
Rot. Bonds7

About (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 90676038) has the molecular formula C23H24F2N8O2 and a molecular weight of 482.50 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID90676038
Molecular FormulaC23H24F2N8O2
Molecular Weight482.50 g/mol
Exact Mass482.20
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCOc1ccc(-c2nc3n(n2)CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C3)cn1
InChIInChI=1S/C23H24F2N8O2/c1-15(23(34,12-32-14-26-13-28-32)18-5-4-17(24)9-19(18)25)31-7-8-33-20(11-31)29-22(30-33)16-3-6-21(35-2)27-10-16/h3-6,9-10,13-15,34H,7-8,11-12H2,1-2H3/t15-,23-/m1/s1
InChIKeyFWEAPTRZNHGPSC-IQMFZBJNSA-N
XLogP2.01
TPSA107.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-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-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 90676038) is (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-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-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is COc1ccc(-c2nc3n(n2)CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C3)cn1.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is FWEAPTRZNHGPSC-IQMFZBJNSA-N. The full InChI is InChI=1S/C23H24F2N8O2/c1-15(23(34,12-32-14-26-13-28-32)18-5-4-17(24)9-19(18)25)31-7-8-33-20(11-31)29-22(30-33)16-3-6-21(35-2)27-10-16/h3-6,9-10,13-15,34H,7-8,11-12H2,1-2H3/t15-,23-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 482.50 g/mol, XLogP of 2.01, 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-(6-methoxy-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 90676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).