2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

C22H21FN6O2 — CID 74222245

IUPAC2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2c(F)cccc2-n2nccn2)C1
InChIInChI=1S/C22H21FN6O2/c1-14-6-7-17(31-21-15(2)16(12-24)8-9-25-21)13-28(14)22(30)20-18(23)4-3-5-19(20)29-26-10-11-27-29/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyMFYUANYIPPBDLX-RHSMWYFYSA-N
MW420.45 g/mol
LogP3.05
Rot. Bonds4

About 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (PubChem CID 74222245) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
PubChem CID74222245
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2c(F)cccc2-n2nccn2)C1
InChIInChI=1S/C22H21FN6O2/c1-14-6-7-17(31-21-15(2)16(12-24)8-9-25-21)13-28(14)22(30)20-18(23)4-3-5-19(20)29-26-10-11-27-29/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyMFYUANYIPPBDLX-RHSMWYFYSA-N
XLogP3.05
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (CID 74222245) is 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2c(F)cccc2-n2nccn2)C1.
What is the InChIKey of 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The InChIKey is MFYUANYIPPBDLX-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-14-6-7-17(31-21-15(2)16(12-24)8-9-25-21)13-28(14)22(30)20-18(23)4-3-5-19(20)29-26-10-11-27-29/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile has a molecular weight of 420.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 74222245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).