ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine

C21H26F3N5 — CID 155738946

IUPACethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine
SMILESCC.CCc1nc(C2(c3nc4ncc(C(F)(F)F)cc4[nH]3)CCC2)ccc1NC
InChIInChI=1S/C19H20F3N5.C2H6/c1-3-12-13(23-2)5-6-15(25-12)18(7-4-8-18)17-26-14-9-11(19(20,21)22)10-24-16(14)27-17;1-2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,24,26,27);1-2H3
InChIKeyOPWNANHCSHXZJL-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.47
Rot. Bonds4

About ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine

ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine (PubChem CID 155738946) has the molecular formula C21H26F3N5 and a molecular weight of 405.47 g/mol. Its IUPAC name is ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine.

Molecular Properties

Compound Nameethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine
PubChem CID155738946
Molecular FormulaC21H26F3N5
Molecular Weight405.47 g/mol
Exact Mass405.21
IUPAC Nameethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine
SMILESCC.CCc1nc(C2(c3nc4ncc(C(F)(F)F)cc4[nH]3)CCC2)ccc1NC
InChIInChI=1S/C19H20F3N5.C2H6/c1-3-12-13(23-2)5-6-15(25-12)18(7-4-8-18)17-26-14-9-11(19(20,21)22)10-24-16(14)27-17;1-2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,24,26,27);1-2H3
InChIKeyOPWNANHCSHXZJL-UHFFFAOYSA-N
XLogP5.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine 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 ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine?
The IUPAC name of ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine (CID 155738946) is ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine.
What is the SMILES notation for ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine?
The canonical SMILES for ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine is CC.CCc1nc(C2(c3nc4ncc(C(F)(F)F)cc4[nH]3)CCC2)ccc1NC.
What is the InChIKey of ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine?
The InChIKey is OPWNANHCSHXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5.C2H6/c1-3-12-13(23-2)5-6-15(25-12)18(7-4-8-18)17-26-14-9-11(19(20,21)22)10-24-16(14)27-17;1-2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,24,26,27);1-2H3.
What are the key properties of ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine?
ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine has a molecular weight of 405.47 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N-methyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]pyridin-3-amine is sourced from PubChem (CID 155738946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).