6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C26H30FN7 — CID 142464237

IUPAC6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)c2cc(F)ccc2n1
InChIInChI=1S/C26H30FN7/c1-18-13-22(23-14-19(27)3-4-25(23)30-18)24-16-29-34-17-21(15-28-26(24)34)32-7-5-20(6-8-32)33-11-9-31(2)10-12-33/h3-4,13-17,20H,5-12H2,1-2H3
InChIKeyDPCZYAXPRWQPAI-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.61
Rot. Bonds3

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

6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464237) has the molecular formula C26H30FN7 and a molecular weight of 459.57 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464237
Molecular FormulaC26H30FN7
Molecular Weight459.57 g/mol
Exact Mass459.25
IUPAC Name6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)c2cc(F)ccc2n1
InChIInChI=1S/C26H30FN7/c1-18-13-22(23-14-19(27)3-4-25(23)30-18)24-16-29-34-17-21(15-28-26(24)34)32-7-5-20(6-8-32)33-11-9-31(2)10-12-33/h3-4,13-17,20H,5-12H2,1-2H3
InChIKeyDPCZYAXPRWQPAI-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 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464237) is 6-fluoro-2-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 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is DPCZYAXPRWQPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7/c1-18-13-22(23-14-19(27)3-4-25(23)30-18)24-16-29-34-17-21(15-28-26(24)34)32-7-5-20(6-8-32)33-11-9-31(2)10-12-33/h3-4,13-17,20H,5-12H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
6-fluoro-2-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 6-fluoro-2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).