5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one

C48H46FN7O3 — CID 123439402

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c([nH]c4c3)CCCCC5)c(=O)c2)nc1.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2
InChIInChI=1S/C24H23FN4O2.C24H23N3O/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;1-16-7-10-21(25-15-16)17-11-12-27(24(28)13-17)18-8-9-20-19-5-3-2-4-6-22(19)26-23(20)14-18/h7-14H,2-6,15H2,1H3;7-15,26H,2-6H2,1H3
InChIKeyFPRVEMQWCWRTSB-UHFFFAOYSA-N
MW787.94 g/mol
LogP9.06
Rot. Bonds6

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one (PubChem CID 123439402) has the molecular formula C48H46FN7O3 and a molecular weight of 787.94 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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one.

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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one
PubChem CID123439402
Molecular FormulaC48H46FN7O3
Molecular Weight787.94 g/mol
Exact Mass787.36
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c([nH]c4c3)CCCCC5)c(=O)c2)nc1.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2
InChIInChI=1S/C24H23FN4O2.C24H23N3O/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;1-16-7-10-21(25-15-16)17-11-12-27(24(28)13-17)18-8-9-20-19-5-3-2-4-6-22(19)26-23(20)14-18/h7-14H,2-6,15H2,1H3;7-15,26H,2-6H2,1H3
InChIKeyFPRVEMQWCWRTSB-UHFFFAOYSA-N
XLogP9.06
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.94
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
ALB-127158(a)
CID 44193892
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
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
CID 49868914
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-10-yl)pyridin-2-one
CID 49868915
5-[(5-fluoro-2-pyridinyl)methoxy]-2-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridazin-3-one
CID 49868938
4-((5-fluoropyridin-2-yl)methoxy)-1-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)-pyridin-2(1H)-one
CID 49868941
4-((5-Fluoropyridin-2-yl)methoxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin 2(1H)-one
CID 49869073
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)pyridin-2-one
CID 49869208
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)pyridin-2-one
CID 49869331

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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one?
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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one (CID 123439402) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one.
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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one?
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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c5c([nH]c4c3)CCCCC5)c(=O)c2)nc1.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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one?
The InChIKey is FPRVEMQWCWRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.C24H23N3O/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;1-16-7-10-21(25-15-16)17-11-12-27(24(28)13-17)18-8-9-20-19-5-3-2-4-6-22(19)26-23(20)14-18/h7-14H,2-6,15H2,1H3;7-15,26H,2-6H2,1H3.
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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one has a molecular weight of 787.94 g/mol, XLogP of 9.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one is sourced from PubChem (CID 123439402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).