(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

C25H26F2N6O2 — CID 67148001

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](n1cc(-c2cccc(N3CCOCC3)c2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C25H26F2N6O2/c1-18(25(34,15-32-17-28-16-30-32)23-6-5-21(26)12-24(23)27)33-14-20(13-29-33)19-3-2-4-22(11-19)31-7-9-35-10-8-31/h2-6,11-14,16-18,34H,7-10,15H2,1H3/t18-,25-/m1/s1
InChIKeyMPCXRLVRKXJGER-IQGLISFBSA-N
MW480.52 g/mol
LogP3.41
Rot. Bonds7

About (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 67148001) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID67148001
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](n1cc(-c2cccc(N3CCOCC3)c2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C25H26F2N6O2/c1-18(25(34,15-32-17-28-16-30-32)23-6-5-21(26)12-24(23)27)33-14-20(13-29-33)19-3-2-4-22(11-19)31-7-9-35-10-8-31/h2-6,11-14,16-18,34H,7-10,15H2,1H3/t18-,25-/m1/s1
InChIKeyMPCXRLVRKXJGER-IQGLISFBSA-N
XLogP3.41
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-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-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 67148001) is (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is C[C@@H](n1cc(-c2cccc(N3CCOCC3)c2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is MPCXRLVRKXJGER-IQGLISFBSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c1-18(25(34,15-32-17-28-16-30-32)23-6-5-21(26)12-24(23)27)33-14-20(13-29-33)19-3-2-4-22(11-19)31-7-9-35-10-8-31/h2-6,11-14,16-18,34H,7-10,15H2,1H3/t18-,25-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 480.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 67148001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).