1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C24H23FN6O — CID 146409527

IUPAC1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H23FN6O/c1-15(32)31-9-7-20-22(14-31)29-23(17-10-18(25)13-26-11-17)30-24(20)27-8-6-16-12-28-21-5-3-2-4-19(16)21/h2-5,10-13,28H,6-9,14H2,1H3,(H,27,29,30)
InChIKeyVIBNDFALXVBQHK-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 146409527) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID146409527
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H23FN6O/c1-15(32)31-9-7-20-22(14-31)29-23(17-10-18(25)13-26-11-17)30-24(20)27-8-6-16-12-28-21-5-3-2-4-19(16)21/h2-5,10-13,28H,6-9,14H2,1H3,(H,27,29,30)
InChIKeyVIBNDFALXVBQHK-UHFFFAOYSA-N
XLogP3.72
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 146409527) is 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is VIBNDFALXVBQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-15(32)31-9-7-20-22(14-31)29-23(17-10-18(25)13-26-11-17)30-24(20)27-8-6-16-12-28-21-5-3-2-4-19(16)21/h2-5,10-13,28H,6-9,14H2,1H3,(H,27,29,30).
What are the key properties of 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 430.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 146409527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).