4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine

C23H26F2N6O2S — CID 164570396

IUPAC4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
SMILESCC(N)c1ccnc2c(F)cc(-c3nc(NC4CCN(S(=O)(=O)C5CC5)CC4)ncc3F)cc12
InChIInChI=1S/C23H26F2N6O2S/c1-13(26)17-4-7-27-22-18(17)10-14(11-19(22)24)21-20(25)12-28-23(30-21)29-15-5-8-31(9-6-15)34(32,33)16-2-3-16/h4,7,10-13,15-16H,2-3,5-6,8-9,26H2,1H3,(H,28,29,30)
InChIKeyCRHDEZAPZNNCFA-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.36
Rot. Bonds6

About 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine

4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 164570396) has the molecular formula C23H26F2N6O2S and a molecular weight of 488.56 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID164570396
Molecular FormulaC23H26F2N6O2S
Molecular Weight488.56 g/mol
Exact Mass488.18
IUPAC Name4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
SMILESCC(N)c1ccnc2c(F)cc(-c3nc(NC4CCN(S(=O)(=O)C5CC5)CC4)ncc3F)cc12
InChIInChI=1S/C23H26F2N6O2S/c1-13(26)17-4-7-27-22-18(17)10-14(11-19(22)24)21-20(25)12-28-23(30-21)29-15-5-8-31(9-6-15)34(32,33)16-2-3-16/h4,7,10-13,15-16H,2-3,5-6,8-9,26H2,1H3,(H,28,29,30)
InChIKeyCRHDEZAPZNNCFA-UHFFFAOYSA-N
XLogP3.36
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine with MolForge

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Related Compounds

4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175753471
2-[6-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 164570350
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 164570334
4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidine-1-carboxylic acid
CID 170319612
5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483359
5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
CID 164570419
4-[6-(dimethylamino)-5-fluoro-3-pyridinyl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 171617204
4-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidine-1-carboxylic acid
CID 91381147
N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine
CID 167088730
5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-4-(2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 164588471

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine (CID 164570396) is 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine is CC(N)c1ccnc2c(F)cc(-c3nc(NC4CCN(S(=O)(=O)C5CC5)CC4)ncc3F)cc12.
What is the InChIKey of 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is CRHDEZAPZNNCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O2S/c1-13(26)17-4-7-27-22-18(17)10-14(11-19(22)24)21-20(25)12-28-23(30-21)29-15-5-8-31(9-6-15)34(32,33)16-2-3-16/h4,7,10-13,15-16H,2-3,5-6,8-9,26H2,1H3,(H,28,29,30).
What are the key properties of 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 488.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 164570396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).