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

C27H33N7 — CID 142464358

IUPAC6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C
InChIInChI=1S/C27H33N7/c1-19-14-24-23(4-7-28-26(24)15-20(19)2)25-17-30-34-18-22(16-29-27(25)34)32-8-5-21(6-9-32)33-12-10-31(3)11-13-33/h4,7,14-18,21H,5-6,8-13H2,1-3H3
InChIKeyZHCAGZVUUSAIDJ-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.78
Rot. Bonds3

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

6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464358) has the molecular formula C27H33N7 and a molecular weight of 455.61 g/mol. Its IUPAC name is 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464358
Molecular FormulaC27H33N7
Molecular Weight455.61 g/mol
Exact Mass455.28
IUPAC Name6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C
InChIInChI=1S/C27H33N7/c1-19-14-24-23(4-7-28-26(24)15-20(19)2)25-17-30-34-18-22(16-29-27(25)34)32-8-5-21(6-9-32)33-12-10-31(3)11-13-33/h4,7,14-18,21H,5-6,8-13H2,1-3H3
InChIKeyZHCAGZVUUSAIDJ-UHFFFAOYSA-N
XLogP3.78
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464358) is 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is ZHCAGZVUUSAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7/c1-19-14-24-23(4-7-28-26(24)15-20(19)2)25-17-30-34-18-22(16-29-27(25)34)32-8-5-21(6-9-32)33-12-10-31(3)11-13-33/h4,7,14-18,21H,5-6,8-13H2,1-3H3.
What are the key properties of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 455.61 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).