4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C17H19F3N6O2 — CID 56665641

IUPAC4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN(C)CCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C17H19F3N6O2/c1-25(2)5-6-28-13-4-3-10(8-22-13)9-26-11-7-12(17(18,19)20)23-15(21)14(11)24-16(26)27/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,23)(H,24,27)
InChIKeyFCIITKQVFRCXQN-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.71
Rot. Bonds6

About 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56665641) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56665641
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN(C)CCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C17H19F3N6O2/c1-25(2)5-6-28-13-4-3-10(8-22-13)9-26-11-7-12(17(18,19)20)23-15(21)14(11)24-16(26)27/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,23)(H,24,27)
InChIKeyFCIITKQVFRCXQN-UHFFFAOYSA-N
XLogP1.71
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56665641) is 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is CN(C)CCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1.
What is the InChIKey of 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is FCIITKQVFRCXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c1-25(2)5-6-28-13-4-3-10(8-22-13)9-26-11-7-12(17(18,19)20)23-15(21)14(11)24-16(26)27/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,23)(H,24,27).
What are the key properties of 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 396.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56665641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).