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

C23H26F3N3 — CID 134329325

IUPAC2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole
SMILESCc1cc(-c2[nH]c3cc(C(F)(F)F)c(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H26F3N3/c1-13(2)21-18-11-17(15-4-7-27-8-5-15)19(23(24,25)26)12-20(18)29-22(21)16-6-9-28-14(3)10-16/h6,9-13,15,27,29H,4-5,7-8H2,1-3H3
InChIKeyRFBQBZQRVBJBSX-UHFFFAOYSA-N
MW401.48 g/mol
LogP6.15
Rot. Bonds3

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

2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole (PubChem CID 134329325) has the molecular formula C23H26F3N3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole
PubChem CID134329325
Molecular FormulaC23H26F3N3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole
SMILESCc1cc(-c2[nH]c3cc(C(F)(F)F)c(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H26F3N3/c1-13(2)21-18-11-17(15-4-7-27-8-5-15)19(23(24,25)26)12-20(18)29-22(21)16-6-9-28-14(3)10-16/h6,9-13,15,27,29H,4-5,7-8H2,1-3H3
InChIKeyRFBQBZQRVBJBSX-UHFFFAOYSA-N
XLogP6.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole (CID 134329325) is 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole is Cc1cc(-c2[nH]c3cc(C(F)(F)F)c(C4CCNCC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The InChIKey is RFBQBZQRVBJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3/c1-13(2)21-18-11-17(15-4-7-27-8-5-15)19(23(24,25)26)12-20(18)29-22(21)16-6-9-28-14(3)10-16/h6,9-13,15,27,29H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole?
2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole has a molecular weight of 401.48 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 134329325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).