(2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone

C18H20F3N5O2 — CID 44814544

IUPAC(2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C18H20F3N5O2/c1-28-10-11-9-26(8-7-23-11)14-5-4-13(18(19,20)21)15(25-14)16(27)12-3-2-6-24-17(12)22/h2-6,11,23H,7-10H2,1H3,(H2,22,24)
InChIKeyPWEDTQCUXGTFGP-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.73
Rot. Bonds5

About (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 44814544) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID44814544
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C18H20F3N5O2/c1-28-10-11-9-26(8-7-23-11)14-5-4-13(18(19,20)21)15(25-14)16(27)12-3-2-6-24-17(12)22/h2-6,11,23H,7-10H2,1H3,(H2,22,24)
InChIKeyPWEDTQCUXGTFGP-UHFFFAOYSA-N
XLogP1.73
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone 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-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 44814544) is (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone is COCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is PWEDTQCUXGTFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-28-10-11-9-26(8-7-23-11)14-5-4-13(18(19,20)21)15(25-14)16(27)12-3-2-6-24-17(12)22/h2-6,11,23H,7-10H2,1H3,(H2,22,24).
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 395.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[3-(methoxymethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 44814544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).