4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane

C24H25ClN4O2 — CID 159970322

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
SMILESC.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CNCC2
InChIInChI=1S/C23H21ClN4O2.CH4/c1-27-21-6-8-25-13-20(21)19-5-4-17(10-22(19)27)28-9-7-18(11-23(28)29)30-14-16-3-2-15(24)12-26-16;/h2-5,7,9-12,25H,6,8,13-14H2,1H3;1H4
InChIKeyOELPFIJZYBUENL-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.24
Rot. Bonds4

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane

4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane (PubChem CID 159970322) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
PubChem CID159970322
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
SMILESC.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CNCC2
InChIInChI=1S/C23H21ClN4O2.CH4/c1-27-21-6-8-25-13-20(21)19-5-4-17(10-22(19)27)28-9-7-18(11-23(28)29)30-14-16-3-2-15(24)12-26-16;/h2-5,7,9-12,25H,6,8,13-14H2,1H3;1H4
InChIKeyOELPFIJZYBUENL-UHFFFAOYSA-N
XLogP4.24
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
4-(4-chlorobenzyloxy)-1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194954
4-(Benzyloxy)-1-(9-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-7-yl)pyridin-2(1h)-one
CID 50908737
4-(4-chlorobenzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2(1H)-one
CID 52941539
4-(5-chloropyridin-2-yl)-1-(9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2(1H)-one
CID 52947297
ALB-127158(a)
CID 44193892
1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 56660001
4-[(4-Chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one
CID 127029759
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-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane (CID 159970322) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane is C.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CNCC2.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane?
The InChIKey is OELPFIJZYBUENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2.CH4/c1-27-21-6-8-25-13-20(21)19-5-4-17(10-22(19)27)28-9-7-18(11-23(28)29)30-14-16-3-2-15(24)12-26-16;/h2-5,7,9-12,25H,6,8,13-14H2,1H3;1H4.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane?
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane has a molecular weight of 436.94 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane is sourced from PubChem (CID 159970322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).