2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C22H26FN3 — CID 134329870

IUPAC2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(F)n1
InChIInChI=1S/C22H26FN3/c1-13(2)21-18-11-16(15-6-8-24-9-7-15)4-5-19(18)26-22(21)17-10-14(3)25-20(23)12-17/h4-5,10-13,15,24,26H,6-9H2,1-3H3
InChIKeyQULSQEFCIVQHAV-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.27
Rot. Bonds3

About 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329870) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329870
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(F)n1
InChIInChI=1S/C22H26FN3/c1-13(2)21-18-11-16(15-6-8-24-9-7-15)4-5-19(18)26-22(21)17-10-14(3)25-20(23)12-17/h4-5,10-13,15,24,26H,6-9H2,1-3H3
InChIKeyQULSQEFCIVQHAV-UHFFFAOYSA-N
XLogP5.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329870) is 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(F)n1.
What is the InChIKey of 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is QULSQEFCIVQHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-13(2)21-18-11-16(15-6-8-24-9-7-15)4-5-19(18)26-22(21)17-10-14(3)25-20(23)12-17/h4-5,10-13,15,24,26H,6-9H2,1-3H3.
What are the key properties of 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 351.47 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).