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

C23H28FN3 — CID 134329636

IUPAC2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)c(F)c3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H28FN3/c1-13(2)20-21-19(27-23(20)17-11-14(3)26-15(4)12-17)6-5-18(22(21)24)16-7-9-25-10-8-16/h5-6,11-13,16,25,27H,7-10H2,1-4H3
InChIKeyVCSMIPVBBBTQIR-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.58
Rot. Bonds3

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

2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329636) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329636
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)c(F)c3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H28FN3/c1-13(2)20-21-19(27-23(20)17-11-14(3)26-15(4)12-17)6-5-18(22(21)24)16-7-9-25-10-8-16/h5-6,11-13,16,25,27H,7-10H2,1-4H3
InChIKeyVCSMIPVBBBTQIR-UHFFFAOYSA-N
XLogP5.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329636) is 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)c(F)c3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is VCSMIPVBBBTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-13(2)20-21-19(27-23(20)17-11-14(3)26-15(4)12-17)6-5-18(22(21)24)16-7-9-25-10-8-16/h5-6,11-13,16,25,27H,7-10H2,1-4H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 365.50 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).