7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C21H23FN4 — CID 169026161

IUPAC7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESFc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCCCC2)cn1)CC3
InChIInChI=1S/C21H23FN4/c22-15-4-6-17-18-8-11-26(14-20(18)24-19(17)12-15)21-7-5-16(13-23-21)25-9-2-1-3-10-25/h4-7,12-13,24H,1-3,8-11,14H2
InChIKeyNCANPFHSOPTMBO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.26
Rot. Bonds2

About 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 169026161) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID169026161
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESFc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCCCC2)cn1)CC3
InChIInChI=1S/C21H23FN4/c22-15-4-6-17-18-8-11-26(14-20(18)24-19(17)12-15)21-7-5-16(13-23-21)25-9-2-1-3-10-25/h4-7,12-13,24H,1-3,8-11,14H2
InChIKeyNCANPFHSOPTMBO-UHFFFAOYSA-N
XLogP4.26
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 169026161) is 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCCCC2)cn1)CC3.
What is the InChIKey of 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is NCANPFHSOPTMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-15-4-6-17-18-8-11-26(14-20(18)24-19(17)12-15)21-7-5-16(13-23-21)25-9-2-1-3-10-25/h4-7,12-13,24H,1-3,8-11,14H2.
What are the key properties of 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 350.44 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 169026161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).