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

C26H30FN7 — CID 142464238

IUPAC7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H30FN7/c1-18-13-22-21(3-6-28-25(22)14-24(18)27)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33/h3,6,13-17,19H,4-5,7-12H2,1-2H3
InChIKeyGUIRZGAKZRXFQM-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.61
Rot. Bonds3

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

7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464238) has the molecular formula C26H30FN7 and a molecular weight of 459.57 g/mol. Its IUPAC name is 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464238
Molecular FormulaC26H30FN7
Molecular Weight459.57 g/mol
Exact Mass459.25
IUPAC Name7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H30FN7/c1-18-13-22-21(3-6-28-25(22)14-24(18)27)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33/h3,6,13-17,19H,4-5,7-12H2,1-2H3
InChIKeyGUIRZGAKZRXFQM-UHFFFAOYSA-N
XLogP3.61
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464238) is 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is GUIRZGAKZRXFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7/c1-18-13-22-21(3-6-28-25(22)14-24(18)27)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33/h3,6,13-17,19H,4-5,7-12H2,1-2H3.
What are the key properties of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 459.57 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).