1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C18H24F3N5O — CID 172563900

IUPAC1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(C3CCN(CC(F)(F)F)CC3)cc2n1C1CCNCC1
InChIInChI=1S/C18H24F3N5O/c19-18(20,21)11-25-7-3-12(4-8-25)13-9-15-16(23-10-13)24-17(27)26(15)14-1-5-22-6-2-14/h9-10,12,14,22H,1-8,11H2,(H,23,24,27)
InChIKeyQWSYXLBXOYCEII-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.39
Rot. Bonds3

About 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 172563900) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID172563900
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(C3CCN(CC(F)(F)F)CC3)cc2n1C1CCNCC1
InChIInChI=1S/C18H24F3N5O/c19-18(20,21)11-25-7-3-12(4-8-25)13-9-15-16(23-10-13)24-17(27)26(15)14-1-5-22-6-2-14/h9-10,12,14,22H,1-8,11H2,(H,23,24,27)
InChIKeyQWSYXLBXOYCEII-UHFFFAOYSA-N
XLogP2.39
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 172563900) is 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(C3CCN(CC(F)(F)F)CC3)cc2n1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QWSYXLBXOYCEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c19-18(20,21)11-25-7-3-12(4-8-25)13-9-15-16(23-10-13)24-17(27)26(15)14-1-5-22-6-2-14/h9-10,12,14,22H,1-8,11H2,(H,23,24,27).
What are the key properties of 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 383.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 172563900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).