4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

C27H27FN4O2 — CID 123751046

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(CN1)C2
InChIInChI=1S/C27H27FN4O2/c1-31-24-12-20(7-8-22(24)27-23-4-2-3-17(14-30-23)11-25(27)31)32-10-9-21(13-26(32)33)34-16-19-6-5-18(28)15-29-19/h5-10,12-13,15,17,23,30H,2-4,11,14,16H2,1H3
InChIKeyCLIRSRLITQFFMI-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.43
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (PubChem CID 123751046) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
PubChem CID123751046
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(CN1)C2
InChIInChI=1S/C27H27FN4O2/c1-31-24-12-20(7-8-22(24)27-23-4-2-3-17(14-30-23)11-25(27)31)32-10-9-21(13-26(32)33)34-16-19-6-5-18(28)15-29-19/h5-10,12-13,15,17,23,30H,2-4,11,14,16H2,1H3
InChIKeyCLIRSRLITQFFMI-UHFFFAOYSA-N
XLogP4.43
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one with MolForge

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Related Compounds

4-(Benzyloxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin-2(1H)-one
CID 49869488
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50903067
ALB-127158(a)
CID 44193892
1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 56660001
4-[(2-fluorophenyl)methoxy]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
CID 56666883
1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 56673836
1-(3-Methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridin-2-one
CID 49868664
4-(benzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-8-yl)pyridin-2(1H)-one
CID 49868670
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one
CID 49868676
1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 49868781
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indol-9-yl)pyridin-2-one
CID 49868784
1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridin-2-one
CID 49868805

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (CID 123751046) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(CN1)C2.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The InChIKey is CLIRSRLITQFFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-31-24-12-20(7-8-22(24)27-23-4-2-3-17(14-30-23)11-25(27)31)32-10-9-21(13-26(32)33)34-16-19-6-5-18(28)15-29-19/h5-10,12-13,15,17,23,30H,2-4,11,14,16H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one has a molecular weight of 458.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,16-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is sourced from PubChem (CID 123751046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).