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

C20H26F3N7O — CID 56672556

IUPAC4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCCN(CC)CCN(C)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C20H26F3N7O/c1-4-29(5-2)9-8-28(3)16-7-6-13(11-25-16)12-30-14-10-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H2,24,26)(H,27,31)
InChIKeyRMZPNWGHJKRMCJ-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.55
Rot. Bonds8

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

4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56672556) has the molecular formula C20H26F3N7O and a molecular weight of 437.47 g/mol. Its IUPAC name is 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56672556
Molecular FormulaC20H26F3N7O
Molecular Weight437.47 g/mol
Exact Mass437.22
IUPAC Name4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCCN(CC)CCN(C)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C20H26F3N7O/c1-4-29(5-2)9-8-28(3)16-7-6-13(11-25-16)12-30-14-10-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H2,24,26)(H,27,31)
InChIKeyRMZPNWGHJKRMCJ-UHFFFAOYSA-N
XLogP2.55
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56672556) is 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is CCN(CC)CCN(C)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1.
What is the InChIKey of 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is RMZPNWGHJKRMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N7O/c1-4-29(5-2)9-8-28(3)16-7-6-13(11-25-16)12-30-14-10-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H2,24,26)(H,27,31).
What are the key properties of 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 437.47 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56672556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).