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

C14H12F3N5O2 — CID 70683556

IUPAC4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C14H12F3N5O2/c1-24-10-3-2-7(5-19-10)6-22-8-4-9(14(15,16)17)20-12(18)11(8)21-13(22)23/h2-5H,6H2,1H3,(H2,18,20)(H,21,23)
InChIKeyOXRTXINTESDNAH-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.78
Rot. Bonds3

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

4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 70683556) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID70683556
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C14H12F3N5O2/c1-24-10-3-2-7(5-19-10)6-22-8-4-9(14(15,16)17)20-12(18)11(8)21-13(22)23/h2-5H,6H2,1H3,(H2,18,20)(H,21,23)
InChIKeyOXRTXINTESDNAH-UHFFFAOYSA-N
XLogP1.78
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 70683556) is 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is COc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is OXRTXINTESDNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-24-10-3-2-7(5-19-10)6-22-8-4-9(14(15,16)17)20-12(18)11(8)21-13(22)23/h2-5H,6H2,1H3,(H2,18,20)(H,21,23).
What are the key properties of 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 339.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 70683556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).