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

C13H11F3N6O — CID 70696167

IUPAC4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C13H11F3N6O/c14-13(15,16)8-3-7-10(11(18)20-8)21-12(23)22(7)5-6-1-2-9(17)19-4-6/h1-4H,5H2,(H2,17,19)(H2,18,20)(H,21,23)
InChIKeyADYNECCIEYQKPA-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.35
Rot. Bonds2

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

4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 70696167) has the molecular formula C13H11F3N6O and a molecular weight of 324.27 g/mol. Its IUPAC name is 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID70696167
Molecular FormulaC13H11F3N6O
Molecular Weight324.27 g/mol
Exact Mass324.09
IUPAC Name4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C13H11F3N6O/c14-13(15,16)8-3-7-10(11(18)20-8)21-12(23)22(7)5-6-1-2-9(17)19-4-6/h1-4H,5H2,(H2,17,19)(H2,18,20)(H,21,23)
InChIKeyADYNECCIEYQKPA-UHFFFAOYSA-N
XLogP1.35
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 70696167) is 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is ADYNECCIEYQKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O/c14-13(15,16)8-3-7-10(11(18)20-8)21-12(23)22(7)5-6-1-2-9(17)19-4-6/h1-4H,5H2,(H2,17,19)(H2,18,20)(H,21,23).
What are the key properties of 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 324.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 70696167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).