1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C24H26FN5O2 — CID 160735612

IUPAC1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1ccc(F)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1
InChIInChI=1S/C24H26FN5O2/c1-32-23-7-4-16(25)12-18(23)20-6-5-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30/h4-9,12-13,17H,2-3,10-11,14,26-27H2,1H3/t17-/m0/s1
InChIKeyRUXGTXYOVAKEIA-KRWDZBQOSA-N
MW435.50 g/mol
LogP3.23
Rot. Bonds6

About 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 160735612) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID160735612
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1ccc(F)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1
InChIInChI=1S/C24H26FN5O2/c1-32-23-7-4-16(25)12-18(23)20-6-5-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30/h4-9,12-13,17H,2-3,10-11,14,26-27H2,1H3/t17-/m0/s1
InChIKeyRUXGTXYOVAKEIA-KRWDZBQOSA-N
XLogP3.23
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 160735612) is 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is COc1ccc(F)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.
What is the InChIKey of 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is RUXGTXYOVAKEIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-23-7-4-16(25)12-18(23)20-6-5-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30/h4-9,12-13,17H,2-3,10-11,14,26-27H2,1H3/t17-/m0/s1.
What are the key properties of 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 435.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 160735612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).