7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol

C111H81N19O — CID 158939119

IUPAC7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
SMILESCc1ccc(-c2cnc3c(-c4ccnc5cc(C)ccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ccn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1
InChIInChI=1S/C23H18N4.C23H17N3.2C22H16N4.C21H14N4O/c1-15-3-6-17(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;1-16-6-8-17(9-7-16)18-14-25-23-21(11-13-26(23)15-18)19-10-12-24-22-5-3-2-4-20(19)22;1-15-6-8-16(9-7-15)19-12-24-22-20(13-25-26(22)14-19)18-10-17-4-2-3-5-21(17)23-11-18;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/h3-14H,1-2H3;2-15H,1H3;2*2-14H,1H3;1-13,26H
InChIKeyJKAJQKXIVUERSM-UHFFFAOYSA-N
MW1697.00 g/mol
LogP24.91
Rot. Bonds10

About 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol (PubChem CID 158939119) has the molecular formula C111H81N19O and a molecular weight of 1697.00 g/mol. Its IUPAC name is 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
PubChem CID158939119
Molecular FormulaC111H81N19O
Molecular Weight1697.00 g/mol
Exact Mass1695.69
IUPAC Name7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
SMILESCc1ccc(-c2cnc3c(-c4ccnc5cc(C)ccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ccn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1
InChIInChI=1S/C23H18N4.C23H17N3.2C22H16N4.C21H14N4O/c1-15-3-6-17(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;1-16-6-8-17(9-7-16)18-14-25-23-21(11-13-26(23)15-18)19-10-12-24-22-5-3-2-4-20(19)22;1-15-6-8-16(9-7-15)19-12-24-22-20(13-25-26(22)14-19)18-10-17-4-2-3-5-21(17)23-11-18;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/h3-14H,1-2H3;2-15H,1H3;2*2-14H,1H3;1-13,26H
InChIKeyJKAJQKXIVUERSM-UHFFFAOYSA-N
XLogP24.91
TPSA222.74 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.00
LogP ≤ 524.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol (CID 158939119) is 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol is Cc1ccc(-c2cnc3c(-c4ccnc5cc(C)ccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ccn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1.
What is the InChIKey of 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The InChIKey is JKAJQKXIVUERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4.C23H17N3.2C22H16N4.C21H14N4O/c1-15-3-6-17(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;1-16-6-8-17(9-7-16)18-14-25-23-21(11-13-26(23)15-18)19-10-12-24-22-5-3-2-4-20(19)22;1-15-6-8-16(9-7-15)19-12-24-22-20(13-25-26(22)14-19)18-10-17-4-2-3-5-21(17)23-11-18;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/h3-14H,1-2H3;2-15H,1H3;2*2-14H,1H3;1-13,26H.
What are the key properties of 7-methyl-4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol has a molecular weight of 1697.00 g/mol, XLogP of 24.91, 10 rotatable bonds, 1 hydrogen bond donors, and 20 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;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)pyrrolo[1,2-a]pyrimidin-8-yl]quinoline;4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol is sourced from PubChem (CID 158939119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).