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9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole

C24H23FN2O — CID 126627512

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole
SMILESCCc1c(C)cn2nc3ccccc3c2c1-c1cc(F)c2c(c1C)CCCO2
InChIInChI=1S/C24H23FN2O/c1-4-16-14(2)13-27-23(18-8-5-6-10-21(18)26-27)22(16)19-12-20(25)24-17(15(19)3)9-7-11-28-24/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3
InChIKeyLIAGSIITGVPMKT-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.80
Rot. Bonds2

About 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole

9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole (PubChem CID 126627512) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole.

Molecular Properties

Compound Name9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole
PubChem CID126627512
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole
SMILESCCc1c(C)cn2nc3ccccc3c2c1-c1cc(F)c2c(c1C)CCCO2
InChIInChI=1S/C24H23FN2O/c1-4-16-14(2)13-27-23(18-8-5-6-10-21(18)26-27)22(16)19-12-20(25)24-17(15(19)3)9-7-11-28-24/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3
InChIKeyLIAGSIITGVPMKT-UHFFFAOYSA-N
XLogP5.80
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole?
The IUPAC name of 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole (CID 126627512) is 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole.
What is the SMILES notation for 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole?
The canonical SMILES for 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole is CCc1c(C)cn2nc3ccccc3c2c1-c1cc(F)c2c(c1C)CCCO2.
What is the InChIKey of 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole?
The InChIKey is LIAGSIITGVPMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-4-16-14(2)13-27-23(18-8-5-6-10-21(18)26-27)22(16)19-12-20(25)24-17(15(19)3)9-7-11-28-24/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3.
What are the key properties of 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole?
9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole has a molecular weight of 374.46 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-10-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-8-methylpyrido[1,2-b]indazole is sourced from PubChem (CID 126627512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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