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

C14H9F6N5O — CID 70692005

IUPAC4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H9F6N5O/c15-13(16,17)8-2-1-6(4-22-8)5-25-7-3-9(14(18,19)20)23-11(21)10(7)24-12(25)26/h1-4H,5H2,(H2,21,23)(H,24,26)
InChIKeyRKZZEGZZRGWGCR-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.79
Rot. Bonds2

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

4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 70692005) has the molecular formula C14H9F6N5O and a molecular weight of 377.25 g/mol. Its IUPAC name is 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID70692005
Molecular FormulaC14H9F6N5O
Molecular Weight377.25 g/mol
Exact Mass377.07
IUPAC Name4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H9F6N5O/c15-13(16,17)8-2-1-6(4-22-8)5-25-7-3-9(14(18,19)20)23-11(21)10(7)24-12(25)26/h1-4H,5H2,(H2,21,23)(H,24,26)
InChIKeyRKZZEGZZRGWGCR-UHFFFAOYSA-N
XLogP2.79
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one (CID 70692005) is 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is RKZZEGZZRGWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N5O/c15-13(16,17)8-2-1-6(4-22-8)5-25-7-3-9(14(18,19)20)23-11(21)10(7)24-12(25)26/h1-4H,5H2,(H2,21,23)(H,24,26).
What are the key properties of 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 377.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 70692005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).