7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C27H25FN6O — CID 170442659

IUPAC7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(-c5ccc(N6CCN(C)CC6)cc5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H25FN6O/c1-32-9-11-33(12-10-32)20-5-3-18(4-6-20)19-15-30-27-23(16-31-34(27)17-19)21-7-8-29-25-14-24(28)26(35-2)13-22(21)25/h3-8,13-17H,9-12H2,1-2H3
InChIKeyCKJNLACWMUSJMG-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.51
Rot. Bonds4

About 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 170442659) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID170442659
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC Name7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(-c5ccc(N6CCN(C)CC6)cc5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H25FN6O/c1-32-9-11-33(12-10-32)20-5-3-18(4-6-20)19-15-30-27-23(16-31-34(27)17-19)21-7-8-29-25-14-24(28)26(35-2)13-22(21)25/h3-8,13-17H,9-12H2,1-2H3
InChIKeyCKJNLACWMUSJMG-UHFFFAOYSA-N
XLogP4.51
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
CID 142464334
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylpiperidin-4-amine
CID 142464391
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
ethane;7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 142464168
3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 146663932
4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 167058477
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-6-methyl-5-methylideneazocan-4-ol
CID 142464258
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
CID 118894226
6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline
CID 166691444

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 170442659) is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(-c5ccc(N6CCN(C)CC6)cc5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is CKJNLACWMUSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c1-32-9-11-33(12-10-32)20-5-3-18(4-6-20)19-15-30-27-23(16-31-34(27)17-19)21-7-8-29-25-14-24(28)26(35-2)13-22(21)25/h3-8,13-17H,9-12H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 468.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 170442659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).