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

C16H17F3N6O2 — CID 56669245

IUPAC4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCNc1ncccc1Cn1c(=O)[nH]c2c(N)nc(C(F)(F)F)cc21
InChIInChI=1S/C16H17F3N6O2/c1-27-6-5-22-14-9(3-2-4-21-14)8-25-10-7-11(16(17,18)19)23-13(20)12(10)24-15(25)26/h2-4,7H,5-6,8H2,1H3,(H2,20,23)(H,21,22)(H,24,26)
InChIKeyRAJSJXBZDGSFRG-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.83
Rot. Bonds6

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

4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56669245) has the molecular formula C16H17F3N6O2 and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56669245
Molecular FormulaC16H17F3N6O2
Molecular Weight382.35 g/mol
Exact Mass382.14
IUPAC Name4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCNc1ncccc1Cn1c(=O)[nH]c2c(N)nc(C(F)(F)F)cc21
InChIInChI=1S/C16H17F3N6O2/c1-27-6-5-22-14-9(3-2-4-21-14)8-25-10-7-11(16(17,18)19)23-13(20)12(10)24-15(25)26/h2-4,7H,5-6,8H2,1H3,(H2,20,23)(H,21,22)(H,24,26)
InChIKeyRAJSJXBZDGSFRG-UHFFFAOYSA-N
XLogP1.83
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56669245) is 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is COCCNc1ncccc1Cn1c(=O)[nH]c2c(N)nc(C(F)(F)F)cc21.
What is the InChIKey of 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is RAJSJXBZDGSFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O2/c1-27-6-5-22-14-9(3-2-4-21-14)8-25-10-7-11(16(17,18)19)23-13(20)12(10)24-15(25)26/h2-4,7H,5-6,8H2,1H3,(H2,20,23)(H,21,22)(H,24,26).
What are the key properties of 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 382.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56669245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).