methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate

C24H34FN5O4 — CID 169096060

IUPACmethyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate
SMILESCCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1N1CC(F)CC(CC(=O)OC)C1
InChIInChI=1S/C24H34FN5O4/c1-4-18-20(30-13-16(11-17(25)14-30)12-22(31)32-3)9-8-19(26-18)24-21(29(2)28-27-24)15-34-23-7-5-6-10-33-23/h8-9,16-17,23H,4-7,10-15H2,1-3H3
InChIKeyHIPCORDQTSYGFX-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.21
Rot. Bonds8

About methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate

methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate (PubChem CID 169096060) has the molecular formula C24H34FN5O4 and a molecular weight of 475.57 g/mol. Its IUPAC name is methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate
PubChem CID169096060
Molecular FormulaC24H34FN5O4
Molecular Weight475.57 g/mol
Exact Mass475.26
IUPAC Namemethyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate
SMILESCCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1N1CC(F)CC(CC(=O)OC)C1
InChIInChI=1S/C24H34FN5O4/c1-4-18-20(30-13-16(11-17(25)14-30)12-22(31)32-3)9-8-19(26-18)24-21(29(2)28-27-24)15-34-23-7-5-6-10-33-23/h8-9,16-17,23H,4-7,10-15H2,1-3H3
InChIKeyHIPCORDQTSYGFX-UHFFFAOYSA-N
XLogP3.21
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate 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 methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate (CID 169096060) is methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate is CCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1N1CC(F)CC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate?
The InChIKey is HIPCORDQTSYGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O4/c1-4-18-20(30-13-16(11-17(25)14-30)12-22(31)32-3)9-8-19(26-18)24-21(29(2)28-27-24)15-34-23-7-5-6-10-33-23/h8-9,16-17,23H,4-7,10-15H2,1-3H3.
What are the key properties of methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate?
methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate has a molecular weight of 475.57 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]-5-fluoropiperidin-3-yl]acetate is sourced from PubChem (CID 169096060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).