1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine

C23H30F2N4 — CID 22820791

IUPAC1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine
SMILESCNNCCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1
InChIInChI=1S/C23H30F2N4/c1-26-27-12-3-2-4-13-28-14-11-23-21(16-28)20-15-18(25)7-10-22(20)29(23)19-8-5-17(24)6-9-19/h5-10,15,21,23,26-27H,2-4,11-14,16H2,1H3/t21-,23+/m0/s1
InChIKeyRFAKNMABAYVJQO-JTHBVZDNSA-N
MW400.52 g/mol
LogP4.17
Rot. Bonds8

About 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine

1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine (PubChem CID 22820791) has the molecular formula C23H30F2N4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine
PubChem CID22820791
Molecular FormulaC23H30F2N4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine
SMILESCNNCCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1
InChIInChI=1S/C23H30F2N4/c1-26-27-12-3-2-4-13-28-14-11-23-21(16-28)20-15-18(25)7-10-22(20)29(23)19-8-5-17(24)6-9-19/h5-10,15,21,23,26-27H,2-4,11-14,16H2,1H3/t21-,23+/m0/s1
InChIKeyRFAKNMABAYVJQO-JTHBVZDNSA-N
XLogP4.17
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine?
The IUPAC name of 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine (CID 22820791) is 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine.
What is the SMILES notation for 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine?
The canonical SMILES for 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine is CNNCCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1.
What is the InChIKey of 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine?
The InChIKey is RFAKNMABAYVJQO-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H30F2N4/c1-26-27-12-3-2-4-13-28-14-11-23-21(16-28)20-15-18(25)7-10-22(20)29(23)19-8-5-17(24)6-9-19/h5-10,15,21,23,26-27H,2-4,11-14,16H2,1H3/t21-,23+/m0/s1.
What are the key properties of 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine?
1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine has a molecular weight of 400.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine is sourced from PubChem (CID 22820791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).