4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one

C22H17F2N7O — CID 163381356

IUPAC4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CCN1
InChIInChI=1S/C22H17F2N7O/c23-16-9-14(8-13-2-1-5-26-20(13)16)21-17(24)11-28-22(30-21)29-18-4-3-15(10-27-18)31-7-6-25-19(32)12-31/h1-5,8-11H,6-7,12H2,(H,25,32)(H,27,28,29,30)
InChIKeyQACCCSDDMAIGCM-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.04
Rot. Bonds4

About 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one

4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one (PubChem CID 163381356) has the molecular formula C22H17F2N7O and a molecular weight of 433.42 g/mol. Its IUPAC name is 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
PubChem CID163381356
Molecular FormulaC22H17F2N7O
Molecular Weight433.42 g/mol
Exact Mass433.15
IUPAC Name4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CCN1
InChIInChI=1S/C22H17F2N7O/c23-16-9-14(8-13-2-1-5-26-20(13)16)21-17(24)11-28-22(30-21)29-18-4-3-15(10-27-18)31-7-6-25-19(32)12-31/h1-5,8-11H,6-7,12H2,(H,25,32)(H,27,28,29,30)
InChIKeyQACCCSDDMAIGCM-UHFFFAOYSA-N
XLogP3.04
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
5-fluoro-4-(8-fluoro-2-methyl-4-prop-1-en-2-ylquinolin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine;hydrochloride
CID 175745504
5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166121076
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-propan-2-yl-1,4-benzothiazin-3-one
CID 166121027
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139390032
6-fluoro-8-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]quinolin-5-one
CID 166121128
4-(1-ethyl-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-5-fluoro-N-[5-(3-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 154964314
5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
CID 164570419
N-[5-(1,4-diazepan-1-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
CID 139390133
7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
5-fluoro-4-(8-fluoro-4-propan-2-ylspiro[2H-1,4-benzoxazine-3,1'-cyclopentane]-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166120580

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one (CID 163381356) is 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one is O=C1CN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CCN1.
What is the InChIKey of 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The InChIKey is QACCCSDDMAIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O/c23-16-9-14(8-13-2-1-5-26-20(13)16)21-17(24)11-28-22(30-21)29-18-4-3-15(10-27-18)31-7-6-25-19(32)12-31/h1-5,8-11H,6-7,12H2,(H,25,32)(H,27,28,29,30).
What are the key properties of 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one has a molecular weight of 433.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 163381356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).