5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one

C24H28FN7O — CID 175582426

IUPAC5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
SMILESCN1CCN(c2ccc(-c3nc(N)c(F)c(-c4ccc(=O)n(C5CCCC5)c4)n3)nc2)CC1
InChIInChI=1S/C24H28FN7O/c1-30-10-12-31(13-11-30)18-7-8-19(27-14-18)24-28-22(21(25)23(26)29-24)16-6-9-20(33)32(15-16)17-4-2-3-5-17/h6-9,14-15,17H,2-5,10-13H2,1H3,(H2,26,28,29)
InChIKeyWNYYLFFCZYNXPG-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.96
Rot. Bonds4

About 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one

5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one (PubChem CID 175582426) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
PubChem CID175582426
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC Name5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
SMILESCN1CCN(c2ccc(-c3nc(N)c(F)c(-c4ccc(=O)n(C5CCCC5)c4)n3)nc2)CC1
InChIInChI=1S/C24H28FN7O/c1-30-10-12-31(13-11-30)18-7-8-19(27-14-18)24-28-22(21(25)23(26)29-24)16-6-9-20(33)32(15-16)17-4-2-3-5-17/h6-9,14-15,17H,2-5,10-13H2,1H3,(H2,26,28,29)
InChIKeyWNYYLFFCZYNXPG-UHFFFAOYSA-N
XLogP2.96
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
CID 175582350
5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582346
5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582421
5-[6-amino-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
CID 175582373
1-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one
CID 175582353
tert-butyl 4-[6-[[4-(1-cyclopentyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 167438291
[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 1485800
2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one
CID 56680431
1-cycloheptyl-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110543967
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297084
5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one
CID 68900378

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
The IUPAC name of 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one (CID 175582426) is 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
The canonical SMILES for 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one is CN1CCN(c2ccc(-c3nc(N)c(F)c(-c4ccc(=O)n(C5CCCC5)c4)n3)nc2)CC1.
What is the InChIKey of 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
The InChIKey is WNYYLFFCZYNXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c1-30-10-12-31(13-11-30)18-7-8-19(27-14-18)24-28-22(21(25)23(26)29-24)16-6-9-20(33)32(15-16)17-4-2-3-5-17/h6-9,14-15,17H,2-5,10-13H2,1H3,(H2,26,28,29).
What are the key properties of 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one has a molecular weight of 449.53 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 175582426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).