4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one

C26H28FN7O2 — CID 142464336

IUPAC4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)C(=O)C6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H28FN7O2/c1-31-9-10-33(16-25(31)35)17-4-7-32(8-5-17)18-13-29-26-21(14-30-34(26)15-18)19-3-6-28-23-12-22(27)24(36-2)11-20(19)23/h3,6,11-15,17H,4-5,7-10,16H2,1-2H3
InChIKeyYDEAJAXMKNDRFL-UHFFFAOYSA-N
MW489.56 g/mol
LogP2.84
Rot. Bonds4

About 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one

4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 142464336) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one
PubChem CID142464336
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)C(=O)C6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H28FN7O2/c1-31-9-10-33(16-25(31)35)17-4-7-32(8-5-17)18-13-29-26-21(14-30-34(26)15-18)19-3-6-28-23-12-22(27)24(36-2)11-20(19)23/h3,6,11-15,17H,4-5,7-10,16H2,1-2H3
InChIKeyYDEAJAXMKNDRFL-UHFFFAOYSA-N
XLogP2.84
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
Ker-047
CID 142464264
(4-(2-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54580295
(4-(2-Fluoro-4-methylphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54583296
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
6-[[6-(3-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127046732
4-(6-(4-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223241

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one (CID 142464336) is 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)C(=O)C6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is YDEAJAXMKNDRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-31-9-10-33(16-25(31)35)17-4-7-32(8-5-17)18-13-29-26-21(14-30-34(26)15-18)19-3-6-28-23-12-22(27)24(36-2)11-20(19)23/h3,6,11-15,17H,4-5,7-10,16H2,1-2H3.
What are the key properties of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one?
4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 489.56 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 142464336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).