3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one

C19H22FN3O — CID 90460287

IUPAC3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
SMILESO=c1ccc2c3cc(CF)[nH]cc3n(CCN3CCCCC3)c2c1
InChIInChI=1S/C19H22FN3O/c20-12-14-10-17-16-5-4-15(24)11-18(16)23(19(17)13-21-14)9-8-22-6-2-1-3-7-22/h4-5,10-11,13,21H,1-3,6-9,12H2
InChIKeyITZPOUJMELPLQZ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.44
Rot. Bonds4

About 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one

3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 90460287) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
PubChem CID90460287
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
SMILESO=c1ccc2c3cc(CF)[nH]cc3n(CCN3CCCCC3)c2c1
InChIInChI=1S/C19H22FN3O/c20-12-14-10-17-16-5-4-15(24)11-18(16)23(19(17)13-21-14)9-8-22-6-2-1-3-7-22/h4-5,10-11,13,21H,1-3,6-9,12H2
InChIKeyITZPOUJMELPLQZ-UHFFFAOYSA-N
XLogP3.44
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one (CID 90460287) is 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one is O=c1ccc2c3cc(CF)[nH]cc3n(CCN3CCCCC3)c2c1.
What is the InChIKey of 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is ITZPOUJMELPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-12-14-10-17-16-5-4-15(24)11-18(16)23(19(17)13-21-14)9-8-22-6-2-1-3-7-22/h4-5,10-11,13,21H,1-3,6-9,12H2.
What are the key properties of 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one?
3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 327.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 90460287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).