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

C17H20F3N7O — CID 56665642

IUPAC4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN(C)CCNc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C17H20F3N7O/c1-26(2)6-5-22-13-4-3-10(8-23-13)9-27-11-7-12(17(18,19)20)24-15(21)14(11)25-16(27)28/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,28)
InChIKeyVJQJILGCYUBXMO-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.74
Rot. Bonds6

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

4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56665642) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56665642
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN(C)CCNc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C17H20F3N7O/c1-26(2)6-5-22-13-4-3-10(8-23-13)9-27-11-7-12(17(18,19)20)24-15(21)14(11)25-16(27)28/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,28)
InChIKeyVJQJILGCYUBXMO-UHFFFAOYSA-N
XLogP1.74
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56665642) is 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-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)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is CN(C)CCNc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1.
What is the InChIKey of 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is VJQJILGCYUBXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-26(2)6-5-22-13-4-3-10(8-23-13)9-27-11-7-12(17(18,19)20)24-15(21)14(11)25-16(27)28/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,28).
What are the key properties of 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 395.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56665642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).