4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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

C79H54N16O — CID 158089246

IUPAC4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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(-c4ccnc5ccccc45)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc2c(-c3cnn4cccnc34)ccnc2c1
InChIInChI=1S/C22H16N4.C21H14N4O.C21H14N4.C15H10N4/c1-15-6-8-16(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/h2-14H,1H3;1-13,26H;1-14H;1-10H
InChIKeyFNWWMMZHJLGBNU-UHFFFAOYSA-N
MW1243.41 g/mol
LogP16.79
Rot. Bonds7

About 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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

4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 158089246) has the molecular formula C79H54N16O and a molecular weight of 1243.41 g/mol. Its IUPAC name is 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 Name4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 CID158089246
Molecular FormulaC79H54N16O
Molecular Weight1243.41 g/mol
Exact Mass1242.47
IUPAC Name4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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(-c4ccnc5ccccc45)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc2c(-c3cnn4cccnc34)ccnc2c1
InChIInChI=1S/C22H16N4.C21H14N4O.C21H14N4.C15H10N4/c1-15-6-8-16(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/h2-14H,1H3;1-13,26H;1-14H;1-10H
InChIKeyFNWWMMZHJLGBNU-UHFFFAOYSA-N
XLogP16.79
TPSA192.55 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.41
LogP ≤ 516.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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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Related Compounds

4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 44223353
3-[4-Amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58514992
3-[4-Amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515036
3-[4-Amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 45279050
3-[4-Amino-1-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 58514998
3-[4-Amino-1-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 58515054
3-[4-Amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 58515064
3-[4-Amino-1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 58515148
3-[4-Amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-b]pyridin-3-yl]phenol
CID 121403203
4-(7-Amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46944749
2-Fluoro-4-(7-methyl-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 90998578
3-[4-amino-1-[(2-chloroquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;(2R)-4-[4-amino-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]but-3-yn-2-ol
CID 158041322

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 158089246) is 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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(-c4ccnc5ccccc45)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.c1ccc2c(-c3cnn4cccnc34)ccnc2c1.
What is the InChIKey of 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 FNWWMMZHJLGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4.C21H14N4O.C21H14N4.C15H10N4/c1-15-6-8-16(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/h2-14H,1H3;1-13,26H;1-14H;1-10H.
What are the key properties of 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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?
4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 1243.41 g/mol, XLogP of 16.79, 7 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-(6-phenylpyrazolo[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 158089246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).