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

C22H26FN3 — CID 134329909

IUPAC6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H26FN3/c1-13(2)21-18-11-17(15-4-7-24-8-5-15)19(23)12-20(18)26-22(21)16-6-9-25-14(3)10-16/h6,9-13,15,24,26H,4-5,7-8H2,1-3H3
InChIKeyMFBSGNLSOOTPMO-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.27
Rot. Bonds3

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

6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329909) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329909
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H26FN3/c1-13(2)21-18-11-17(15-4-7-24-8-5-15)19(23)12-20(18)26-22(21)16-6-9-25-14(3)10-16/h6,9-13,15,24,26H,4-5,7-8H2,1-3H3
InChIKeyMFBSGNLSOOTPMO-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329909) is 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is MFBSGNLSOOTPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-13(2)21-18-11-17(15-4-7-24-8-5-15)19(23)12-20(18)26-22(21)16-6-9-25-14(3)10-16/h6,9-13,15,24,26H,4-5,7-8H2,1-3H3.
What are the key properties of 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
6-fluoro-2-(2-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 6-fluoro-2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).