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

C20H24F3N7O2 — CID 56665787

IUPAC4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCN1CCN(c2ncccc2Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C20H24F3N7O2/c1-32-10-9-28-5-7-29(8-6-28)18-13(3-2-4-25-18)12-30-14-11-15(20(21,22)23)26-17(24)16(14)27-19(30)31/h2-4,11H,5-10,12H2,1H3,(H2,24,26)(H,27,31)
InChIKeyCOTHODXDMUACTH-UHFFFAOYSA-N
MW451.45 g/mol
LogP1.54
Rot. Bonds6

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

4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56665787) has the molecular formula C20H24F3N7O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56665787
Molecular FormulaC20H24F3N7O2
Molecular Weight451.45 g/mol
Exact Mass451.19
IUPAC Name4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCN1CCN(c2ncccc2Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C20H24F3N7O2/c1-32-10-9-28-5-7-29(8-6-28)18-13(3-2-4-25-18)12-30-14-11-15(20(21,22)23)26-17(24)16(14)27-19(30)31/h2-4,11H,5-10,12H2,1H3,(H2,24,26)(H,27,31)
InChIKeyCOTHODXDMUACTH-UHFFFAOYSA-N
XLogP1.54
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56665787) is 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is COCCN1CCN(c2ncccc2Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is COTHODXDMUACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O2/c1-32-10-9-28-5-7-29(8-6-28)18-13(3-2-4-25-18)12-30-14-11-15(20(21,22)23)26-17(24)16(14)27-19(30)31/h2-4,11H,5-10,12H2,1H3,(H2,24,26)(H,27,31).
What are the key properties of 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 451.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56665787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).