1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone

C28H35FN4O2 — CID 134329950

IUPAC1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5COC5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C28H35FN4O2/c1-17(2)27-23-12-20(5-6-25(23)31-28(27)22-11-18(3)30-13-24(22)29)19-7-9-33(10-8-19)26(34)14-32(4)21-15-35-16-21/h5-6,11-13,17,19,21,31H,7-10,14-16H2,1-4H3
InChIKeyGICNPGAMPHOUFT-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.84
Rot. Bonds6

About 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone

1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone (PubChem CID 134329950) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone
PubChem CID134329950
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC Name1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5COC5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C28H35FN4O2/c1-17(2)27-23-12-20(5-6-25(23)31-28(27)22-11-18(3)30-13-24(22)29)19-7-9-33(10-8-19)26(34)14-32(4)21-15-35-16-21/h5-6,11-13,17,19,21,31H,7-10,14-16H2,1-4H3
InChIKeyGICNPGAMPHOUFT-UHFFFAOYSA-N
XLogP4.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone?
The IUPAC name of 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone (CID 134329950) is 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone.
What is the SMILES notation for 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone?
The canonical SMILES for 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5COC5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone?
The InChIKey is GICNPGAMPHOUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-17(2)27-23-12-20(5-6-25(23)31-28(27)22-11-18(3)30-13-24(22)29)19-7-9-33(10-8-19)26(34)14-32(4)21-15-35-16-21/h5-6,11-13,17,19,21,31H,7-10,14-16H2,1-4H3.
What are the key properties of 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone?
1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone has a molecular weight of 478.61 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[methyl(oxetan-3-yl)amino]ethanone is sourced from PubChem (CID 134329950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).