5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C21H18F3N5O2S — CID 68766994

IUPAC5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-n2cnc3cc(CN)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H18F3N5O2S/c1-11(13-4-2-3-5-14(13)21(22,23)24)31-17-7-18(32-19(17)20(26)30)29-10-28-15-6-12(8-25)27-9-16(15)29/h2-7,9-11H,8,25H2,1H3,(H2,26,30)/t11-/m1/s1
InChIKeySZJVQEDMFMZCKF-LLVKDONJSA-N
MW461.47 g/mol
LogP4.20
Rot. Bonds6

About 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 68766994) has the molecular formula C21H18F3N5O2S and a molecular weight of 461.47 g/mol. Its IUPAC name is 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID68766994
Molecular FormulaC21H18F3N5O2S
Molecular Weight461.47 g/mol
Exact Mass461.11
IUPAC Name5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-n2cnc3cc(CN)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H18F3N5O2S/c1-11(13-4-2-3-5-14(13)21(22,23)24)31-17-7-18(32-19(17)20(26)30)29-10-28-15-6-12(8-25)27-9-16(15)29/h2-7,9-11H,8,25H2,1H3,(H2,26,30)/t11-/m1/s1
InChIKeySZJVQEDMFMZCKF-LLVKDONJSA-N
XLogP4.20
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 53338692
5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68766486
5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-3-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide
CID 68768150
5-[6-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68764915
5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 59821050
5-[6-[(4-benzoylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68768515
5-[5-[2-[(2-aminoacetyl)amino]-4-pyridinyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 24953600
5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 143424765
5-[6-[(1-methylpiperidin-4-yl)methoxy]benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 44573303
5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 56657583
5-[5-[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 24953599
2-[[4-[1-[5-carbamoyl-4-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophen-2-yl]benzimidazol-5-yl]-2-pyridinyl]amino]ethyl-methylcarbamic acid
CID 68695862

Frequently Asked Questions

What is the IUPAC name of 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 68766994) is 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is C[C@@H](Oc1cc(-n2cnc3cc(CN)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is SZJVQEDMFMZCKF-LLVKDONJSA-N. The full InChI is InChI=1S/C21H18F3N5O2S/c1-11(13-4-2-3-5-14(13)21(22,23)24)31-17-7-18(32-19(17)20(26)30)29-10-28-15-6-12(8-25)27-9-16(15)29/h2-7,9-11H,8,25H2,1H3,(H2,26,30)/t11-/m1/s1.
What are the key properties of 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 68766994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).