6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol

C26H31N7O2 — CID 142464127

IUPAC6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1O
InChIInChI=1S/C26H31N7O2/c1-30-9-11-32(12-10-30)18-4-7-31(8-5-18)19-15-28-26-22(16-29-33(26)17-19)20-3-6-27-23-14-24(34)25(35-2)13-21(20)23/h3,6,13-18,34H,4-5,7-12H2,1-2H3
InChIKeyPYGZWOPNCHAYDU-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.87
Rot. Bonds4

About 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol

6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol (PubChem CID 142464127) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
PubChem CID142464127
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1O
InChIInChI=1S/C26H31N7O2/c1-30-9-11-32(12-10-30)18-4-7-31(8-5-18)19-15-28-26-22(16-29-33(26)17-19)20-3-6-27-23-14-24(34)25(35-2)13-21(20)23/h3,6,13-18,34H,4-5,7-12H2,1-2H3
InChIKeyPYGZWOPNCHAYDU-UHFFFAOYSA-N
XLogP2.87
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
The IUPAC name of 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol (CID 142464127) is 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol.
What is the SMILES notation for 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
The canonical SMILES for 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1O.
What is the InChIKey of 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
The InChIKey is PYGZWOPNCHAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-30-9-11-32(12-10-30)18-4-7-31(8-5-18)19-15-28-26-22(16-29-33(26)17-19)20-3-6-27-23-14-24(34)25(35-2)13-21(20)23/h3,6,13-18,34H,4-5,7-12H2,1-2H3.
What are the key properties of 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol has a molecular weight of 473.58 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol is sourced from PubChem (CID 142464127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).