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

C25H22FN7O — CID 142464227

IUPAC7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(c6ccncc6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C25H22FN7O/c1-34-24-12-20-19(4-7-28-23(20)13-22(24)26)21-15-30-33-16-18(14-29-25(21)33)32-10-8-31(9-11-32)17-2-5-27-6-3-17/h2-7,12-16H,8-11H2,1H3
InChIKeyXUGZJJLDOCDSNJ-UHFFFAOYSA-N
MW455.50 g/mol
LogP3.81
Rot. Bonds4

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

7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464227) has the molecular formula C25H22FN7O and a molecular weight of 455.50 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464227
Molecular FormulaC25H22FN7O
Molecular Weight455.50 g/mol
Exact Mass455.19
IUPAC Name7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(c6ccncc6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C25H22FN7O/c1-34-24-12-20-19(4-7-28-23(20)13-22(24)26)21-15-30-33-16-18(14-29-25(21)33)32-10-8-31(9-11-32)17-2-5-27-6-3-17/h2-7,12-16H,8-11H2,1H3
InChIKeyXUGZJJLDOCDSNJ-UHFFFAOYSA-N
XLogP3.81
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464227) is 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCN(c6ccncc6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is XUGZJJLDOCDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O/c1-34-24-12-20-19(4-7-28-23(20)13-22(24)26)21-15-30-33-16-18(14-29-25(21)33)32-10-8-31(9-11-32)17-2-5-27-6-3-17/h2-7,12-16H,8-11H2,1H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 455.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).