7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C25H23FN8O — CID 142464180

IUPAC7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(c6ccnc(C)n6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C25H23FN8O/c1-16-27-6-4-24(31-16)33-9-7-32(8-10-33)17-13-29-25-20(14-30-34(25)15-17)18-3-5-28-22-12-21(26)23(35-2)11-19(18)22/h3-6,11-15H,7-10H2,1-2H3
InChIKeyIHFQGMGBPADEIW-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.52
Rot. Bonds4

About 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464180) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464180
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(c6ccnc(C)n6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C25H23FN8O/c1-16-27-6-4-24(31-16)33-9-7-32(8-10-33)17-13-29-25-20(14-30-34(25)15-17)18-3-5-28-22-12-21(26)23(35-2)11-19(18)22/h3-6,11-15H,7-10H2,1-2H3
InChIKeyIHFQGMGBPADEIW-UHFFFAOYSA-N
XLogP3.52
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464180) is 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCN(c6ccnc(C)n6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is IHFQGMGBPADEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-16-27-6-4-24(31-16)33-9-7-32(8-10-33)17-13-29-25-20(14-30-34(25)15-17)18-3-5-28-22-12-21(26)23(35-2)11-19(18)22/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 470.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).