5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride

C24H24ClFN4O2 — CID 160907447

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2
InChIInChI=1S/C24H23FN4O2.ClH/c1-28-22-6-4-2-3-5-20(22)21-10-9-18(11-23(21)28)29-24(30)12-19(14-27-29)31-15-17-8-7-16(25)13-26-17;/h7-14H,2-6,15H2,1H3;1H
InChIKeyODNAAXGECILVPT-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.53
Rot. Bonds4

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride

5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride (PubChem CID 160907447) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride
PubChem CID160907447
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2
InChIInChI=1S/C24H23FN4O2.ClH/c1-28-22-6-4-2-3-5-20(22)21-10-9-18(11-23(21)28)29-24(30)12-19(14-27-29)31-15-17-8-7-16(25)13-26-17;/h7-14H,2-6,15H2,1H3;1H
InChIKeyODNAAXGECILVPT-UHFFFAOYSA-N
XLogP4.53
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one
CID 58093380
1-[2-(cyclobutadienyl)-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 66874607
1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;methane
CID 161383241
tert-butyl 8-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-10-methyl-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylate
CID 58093403
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-6a,7,8,9,10,12-hexahydro-6H-indolo[2,3-b]quinolizin-3-yl)pyridin-2-one;hydrochloride
CID 66603398
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-10-yl)pyridin-2-one;hydrochloride
CID 66603355
4-[(5-ethyl-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 70805295
8-[4-[(5-fluoro-2-pyridinyl)methoxy]-2H-pyridin-1-yl]-10-methyl-2,3,4,5-tetrahydro-1H-azepino[3,4-b]indole
CID 123958471
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657399
6-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene-16-carboxylic acid
CID 66608597
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 66873578
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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride (CID 160907447) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride is Cl.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride?
The InChIKey is ODNAAXGECILVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.ClH/c1-28-22-6-4-2-3-5-20(22)21-10-9-18(11-23(21)28)29-24(30)12-19(14-27-29)31-15-17-8-7-16(25)13-26-17;/h7-14H,2-6,15H2,1H3;1H.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride has a molecular weight of 454.93 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 160907447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).