1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one

C23H19F3N4O2 — CID 67988859

IUPAC1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCCC3
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)20-6-5-15(13-27-20)14-32-17-8-10-29(22(31)12-17)16-7-9-30-19-4-2-1-3-18(19)28-21(30)11-16/h5-13H,1-4,14H2
InChIKeyLBEPXAXLMFWUQA-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.36
Rot. Bonds4

About 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one

1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one (PubChem CID 67988859) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
PubChem CID67988859
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCCC3
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)20-6-5-15(13-27-20)14-32-17-8-10-29(22(31)12-17)16-7-9-30-19-4-2-1-3-18(19)28-21(30)11-16/h5-13H,1-4,14H2
InChIKeyLBEPXAXLMFWUQA-UHFFFAOYSA-N
XLogP4.36
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride
CID 67970370
1-(10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-8-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;hydrochloride
CID 66603160
1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
CID 50903234
1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
CID 70823052
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 70823054
1-(2-acetyl-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[(6-fluoro-3-pyridinyl)methoxy]pyridin-2-one
CID 130231421
4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53324076
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
1-[7-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 166129994
1-(2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepin-8-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]methoxy]pyridin-2-one
CID 76900554

Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The IUPAC name of 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one (CID 67988859) is 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one.
What is the SMILES notation for 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The canonical SMILES for 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one is O=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCCC3.
What is the InChIKey of 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The InChIKey is LBEPXAXLMFWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-23(25,26)20-6-5-15(13-27-20)14-32-17-8-10-29(22(31)12-17)16-7-9-30-19-4-2-1-3-18(19)28-21(30)11-16/h5-13H,1-4,14H2.
What are the key properties of 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one has a molecular weight of 440.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one is sourced from PubChem (CID 67988859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).