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

C27H35FN4O2 — CID 134329392

IUPAC1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)CCO)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C27H35FN4O2/c1-17(2)26-22-14-20(19-7-9-32(10-8-19)25(34)16-31(4)11-12-33)5-6-24(22)30-27(26)21-13-18(3)29-15-23(21)28/h5-6,13-15,17,19,30,33H,7-12,16H2,1-4H3
InChIKeyNZOUHIIVPPRDGH-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.43
Rot. Bonds7

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

1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[2-hydroxyethyl(methyl)amino]ethanone (PubChem CID 134329392) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 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-[2-hydroxyethyl(methyl)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-[2-hydroxyethyl(methyl)amino]ethanone
PubChem CID134329392
Molecular FormulaC27H35FN4O2
Molecular Weight466.60 g/mol
Exact Mass466.27
IUPAC Name1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)CCO)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C27H35FN4O2/c1-17(2)26-22-14-20(19-7-9-32(10-8-19)25(34)16-31(4)11-12-33)5-6-24(22)30-27(26)21-13-18(3)29-15-23(21)28/h5-6,13-15,17,19,30,33H,7-12,16H2,1-4H3
InChIKeyNZOUHIIVPPRDGH-UHFFFAOYSA-N
XLogP4.43
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[2-hydroxyethyl(methyl)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-[2-hydroxyethyl(methyl)amino]ethanone (CID 134329392) is 1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[2-hydroxyethyl(methyl)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-[2-hydroxyethyl(methyl)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-[2-hydroxyethyl(methyl)amino]ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)CCO)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-[2-hydroxyethyl(methyl)amino]ethanone?
The InChIKey is NZOUHIIVPPRDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c1-17(2)26-22-14-20(19-7-9-32(10-8-19)25(34)16-31(4)11-12-33)5-6-24(22)30-27(26)21-13-18(3)29-15-23(21)28/h5-6,13-15,17,19,30,33H,7-12,16H2,1-4H3.
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-[2-hydroxyethyl(methyl)amino]ethanone?
1-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[2-hydroxyethyl(methyl)amino]ethanone has a molecular weight of 466.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 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-[2-hydroxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 134329392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).