7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol

C127H94N26O — CID 159209714

IUPAC7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
SMILESCc1ccc(-c2cnc3c(-c4ccnc5cc(C)ccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1.c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc2c(-c3cnn4cccnc34)ccnc2c1
InChIInChI=1S/C25H22N6.C23H18N4.C22H16N4.C21H14N4O.C21H14N4.C15H10N4/c1-2-7-24-22(6-1)21(8-9-27-24)23-16-29-31-17-19(15-28-25(23)31)18-4-3-5-20(14-18)30-12-10-26-11-13-30;1-15-3-6-17(7-4-15)18-12-25-23-21(13-26-27(23)14-18)19-9-10-24-22-11-16(2)5-8-20(19)22;1-15-6-8-16(9-7-15)17-12-24-22-20(13-25-26(22)14-17)18-10-11-23-21-5-3-2-4-19(18)21;26-16-7-5-14(6-8-16)15-11-23-21-19(12-24-25(21)13-15)17-9-10-22-20-4-2-1-3-18(17)20;1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20;1-2-5-14-12(4-1)11(6-8-16-14)13-10-18-19-9-3-7-17-15(13)19/h1-9,14-17,26H,10-13H2;3-14H,1-2H3;2-14H,1H3;1-13,26H;1-14H;1-10H
InChIKeyKQILUMXHESCPCM-UHFFFAOYSA-N
MW2000.33 g/mol
LogP26.04
Rot. Bonds12

About 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol

7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol (PubChem CID 159209714) has the molecular formula C127H94N26O and a molecular weight of 2000.33 g/mol. Its IUPAC name is 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol.

Molecular Properties

Compound Name7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
PubChem CID159209714
Molecular FormulaC127H94N26O
Molecular Weight2000.33 g/mol
Exact Mass1998.81
IUPAC Name7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
SMILESCc1ccc(-c2cnc3c(-c4ccnc5cc(C)ccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1.c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc2c(-c3cnn4cccnc34)ccnc2c1
InChIInChI=1S/C25H22N6.C23H18N4.C22H16N4.C21H14N4O.C21H14N4.C15H10N4/c1-2-7-24-22(6-1)21(8-9-27-24)23-16-29-31-17-19(15-28-25(23)31)18-4-3-5-20(14-18)30-12-10-26-11-13-30;1-15-3-6-17(7-4-15)18-12-25-23-21(13-26-27(23)14-18)19-9-10-24-22-11-16(2)5-8-20(19)22;1-15-6-8-16(9-7-15)17-12-24-22-20(13-25-26(22)14-17)18-10-11-23-21-5-3-2-4-19(18)21;26-16-7-5-14(6-8-16)15-11-23-21-19(12-24-25(21)13-15)17-9-10-22-20-4-2-1-3-18(17)20;1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20;1-2-5-14-12(4-1)11(6-8-16-14)13-10-18-19-9-3-7-17-15(13)19/h1-9,14-17,26H,10-13H2;3-14H,1-2H3;2-14H,1H3;1-13,26H;1-14H;1-10H
InChIKeyKQILUMXHESCPCM-UHFFFAOYSA-N
XLogP26.04
TPSA293.98 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.33
LogP ≤ 526.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The IUPAC name of 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol (CID 159209714) is 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol.
What is the SMILES notation for 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The canonical SMILES for 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol is Cc1ccc(-c2cnc3c(-c4ccnc5cc(C)ccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1.c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc2c(-c3cnn4cccnc34)ccnc2c1.
What is the InChIKey of 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The InChIKey is KQILUMXHESCPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6.C23H18N4.C22H16N4.C21H14N4O.C21H14N4.C15H10N4/c1-2-7-24-22(6-1)21(8-9-27-24)23-16-29-31-17-19(15-28-25(23)31)18-4-3-5-20(14-18)30-12-10-26-11-13-30;1-15-3-6-17(7-4-15)18-12-25-23-21(13-26-27(23)14-18)19-9-10-24-22-11-16(2)5-8-20(19)22;1-15-6-8-16(9-7-15)17-12-24-22-20(13-25-26(22)14-17)18-10-11-23-21-5-3-2-4-19(18)21;26-16-7-5-14(6-8-16)15-11-23-21-19(12-24-25(21)13-15)17-9-10-22-20-4-2-1-3-18(17)20;1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20;1-2-5-14-12(4-1)11(6-8-16-14)13-10-18-19-9-3-7-17-15(13)19/h1-9,14-17,26H,10-13H2;3-14H,1-2H3;2-14H,1H3;1-13,26H;1-14H;1-10H.
What are the key properties of 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol?
7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol has a molecular weight of 2000.33 g/mol, XLogP of 26.04, 12 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol is sourced from PubChem (CID 159209714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).