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

C23H28FN3 — CID 134329447

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C23H28FN3/c1-14(2)22-19-12-17(16-7-9-27(4)10-8-16)5-6-21(19)26-23(22)18-11-15(3)25-13-20(18)24/h5-6,11-14,16,26H,7-10H2,1-4H3
InChIKeyZREKYMWYYDBLTN-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.61
Rot. Bonds3

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

2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole (PubChem CID 134329447) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
PubChem CID134329447
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C23H28FN3/c1-14(2)22-19-12-17(16-7-9-27(4)10-8-16)5-6-21(19)26-23(22)18-11-15(3)25-13-20(18)24/h5-6,11-14,16,26H,7-10H2,1-4H3
InChIKeyZREKYMWYYDBLTN-UHFFFAOYSA-N
XLogP5.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330137
(Z)-3-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-hydrazinylprop-1-en-2-amine
CID 166839216
1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 159857564
2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330036
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
7-ethyl-8-methyl-6-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 145431932
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole (CID 134329447) is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(C)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The InChIKey is ZREKYMWYYDBLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-14(2)22-19-12-17(16-7-9-27(4)10-8-16)5-6-21(19)26-23(22)18-11-15(3)25-13-20(18)24/h5-6,11-14,16,26H,7-10H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole has a molecular weight of 365.50 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).