methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine

C45H36F6N12O3 — CID 159136642

IUPACmethane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
SMILESC.NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cnccn2)nc1.O=C(O)c1ccc(-c2cnccn2)nc1
InChIInChI=1S/C22H15F3N6O.C12H10F3N3.C10H7N3O2.CH4/c23-22(24,25)20-9-15(5-6-28-20)17-3-1-14(10-29-17)11-31-21(32)16-2-4-18(30-12-16)19-13-26-7-8-27-19;13-12(14,15)11-5-9(3-4-17-11)10-2-1-8(6-16)7-18-10;14-10(15)7-1-2-8(13-5-7)9-6-11-3-4-12-9;/h1-10,12-13H,11H2,(H,31,32);1-5,7H,6,16H2;1-6H,(H,14,15);1H4
InChIKeyKHOOOLAWFPEZPK-UHFFFAOYSA-N
MW906.85 g/mol
LogP8.44
Rot. Bonds9

About methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine

methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine (PubChem CID 159136642) has the molecular formula C45H36F6N12O3 and a molecular weight of 906.85 g/mol. Its IUPAC name is methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Namemethane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
PubChem CID159136642
Molecular FormulaC45H36F6N12O3
Molecular Weight906.85 g/mol
Exact Mass906.29
IUPAC Namemethane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
SMILESC.NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cnccn2)nc1.O=C(O)c1ccc(-c2cnccn2)nc1
InChIInChI=1S/C22H15F3N6O.C12H10F3N3.C10H7N3O2.CH4/c23-22(24,25)20-9-15(5-6-28-20)17-3-1-14(10-29-17)11-31-21(32)16-2-4-18(30-12-16)19-13-26-7-8-27-19;13-12(14,15)11-5-9(3-4-17-11)10-2-1-8(6-16)7-18-10;14-10(15)7-1-2-8(13-5-7)9-6-11-3-4-12-9;/h1-10,12-13H,11H2,(H,31,32);1-5,7H,6,16H2;1-6H,(H,14,15);1H4
InChIKeyKHOOOLAWFPEZPK-UHFFFAOYSA-N
XLogP8.44
TPSA221.32 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.85
LogP ≤ 58.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine 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 methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
The IUPAC name of methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine (CID 159136642) is methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine.
What is the SMILES notation for methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
The canonical SMILES for methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine is C.NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cnccn2)nc1.O=C(O)c1ccc(-c2cnccn2)nc1.
What is the InChIKey of methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
The InChIKey is KHOOOLAWFPEZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O.C12H10F3N3.C10H7N3O2.CH4/c23-22(24,25)20-9-15(5-6-28-20)17-3-1-14(10-29-17)11-31-21(32)16-2-4-18(30-12-16)19-13-26-7-8-27-19;13-12(14,15)11-5-9(3-4-17-11)10-2-1-8(6-16)7-18-10;14-10(15)7-1-2-8(13-5-7)9-6-11-3-4-12-9;/h1-10,12-13H,11H2,(H,31,32);1-5,7H,6,16H2;1-6H,(H,14,15);1H4.
What are the key properties of methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine has a molecular weight of 906.85 g/mol, XLogP of 8.44, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 159136642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).