7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C21H21FN6O — CID 142464207

IUPAC7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(C)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C21H21FN6O/c1-26-5-7-27(8-6-26)14-11-24-21-17(12-25-28(21)13-14)15-3-4-23-19-10-18(22)20(29-2)9-16(15)19/h3-4,9-13H,5-8H2,1-2H3
InChIKeyKRTIXTIXLVIOSK-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.84
Rot. Bonds3

About 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464207) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464207
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(C)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C21H21FN6O/c1-26-5-7-27(8-6-26)14-11-24-21-17(12-25-28(21)13-14)15-3-4-23-19-10-18(22)20(29-2)9-16(15)19/h3-4,9-13H,5-8H2,1-2H3
InChIKeyKRTIXTIXLVIOSK-UHFFFAOYSA-N
XLogP2.84
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464207) is 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCN(C)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is KRTIXTIXLVIOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-26-5-7-27(8-6-26)14-11-24-21-17(12-25-28(21)13-14)15-3-4-23-19-10-18(22)20(29-2)9-16(15)19/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 392.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).