(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

C22H24ClF2N5O2 — CID 53357418

IUPAC(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](OC1CCN(c2ccc(Cl)cn2)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C22H24ClF2N5O2/c1-15(32-18-6-8-29(9-7-18)21-5-2-16(23)11-27-21)22(31,12-30-14-26-13-28-30)19-4-3-17(24)10-20(19)25/h2-5,10-11,13-15,18,31H,6-9,12H2,1H3/t15-,22-/m1/s1
InChIKeyNXRHPYJGZLDKRE-IVZQSRNASA-N
MW463.92 g/mol
LogP3.57
Rot. Bonds7

About (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 53357418) has the molecular formula C22H24ClF2N5O2 and a molecular weight of 463.92 g/mol. Its IUPAC name is (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID53357418
Molecular FormulaC22H24ClF2N5O2
Molecular Weight463.92 g/mol
Exact Mass463.16
IUPAC Name(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](OC1CCN(c2ccc(Cl)cn2)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C22H24ClF2N5O2/c1-15(32-18-6-8-29(9-7-18)21-5-2-16(23)11-27-21)22(31,12-30-14-26-13-28-30)19-4-3-17(24)10-20(19)25/h2-5,10-11,13-15,18,31H,6-9,12H2,1H3/t15-,22-/m1/s1
InChIKeyNXRHPYJGZLDKRE-IVZQSRNASA-N
XLogP3.57
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol 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

(2R,3R)-2-(2,4-difluorophenyl)-3-[1-(2,4-difluorophenyl)piperidin-4-yl]oxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53357542
(2R,3R)-3-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53357540
3-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10982104
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67370957
(2R,3R)-3-[4-(2,4-dichlorophenoxy)piperidin-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67371230
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3R)-3-[[1-(3-chlorophenyl)piperidin-4-yl]-methylamino]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53358382
2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18367686
(2R,3R)-2-(2,4-difluorophenyl)-3-[methyl-(1-phenylpiperidin-4-yl)amino]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53358493
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
(2R,3R)-3-[4-(4-bromophenoxy)piperidin-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67371259
(2R,3S)-2-(2,4-difluorophenyl)-3-phenylmethoxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139974274

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 53357418) is (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol is C[C@@H](OC1CCN(c2ccc(Cl)cn2)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is NXRHPYJGZLDKRE-IVZQSRNASA-N. The full InChI is InChI=1S/C22H24ClF2N5O2/c1-15(32-18-6-8-29(9-7-18)21-5-2-16(23)11-27-21)22(31,12-30-14-26-13-28-30)19-4-3-17(24)10-20(19)25/h2-5,10-11,13-15,18,31H,6-9,12H2,1H3/t15-,22-/m1/s1.
What are the key properties of (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 463.92 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 53357418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).