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

C26H28FN7O2 — CID 142464419

IUPAC1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6=O)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H28FN7O2/c1-31-9-10-33(25(35)16-31)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
InChIKeyMWZHWVQFJVZLDD-UHFFFAOYSA-N
MW489.56 g/mol
LogP2.84
Rot. Bonds4

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

1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one (PubChem CID 142464419) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one
PubChem CID142464419
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6=O)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H28FN7O2/c1-31-9-10-33(25(35)16-31)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
InChIKeyMWZHWVQFJVZLDD-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one (CID 142464419) is 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6=O)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
The InChIKey is MWZHWVQFJVZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-31-9-10-33(25(35)16-31)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 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-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 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperazin-2-one is sourced from PubChem (CID 142464419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).