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

C27H31FN6O — CID 142464169

IUPAC7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)ccc34)ccnc2cc1F
InChIInChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-6-9-32(10-7-19)20-3-4-26-23(17-30-34(26)18-20)21-5-8-29-25-16-24(28)27(35-2)15-22(21)25/h3-5,8,15-19H,6-7,9-14H2,1-2H3
InChIKeyKBTGGQUEDISSMH-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.91
Rot. Bonds4

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

7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline (PubChem CID 142464169) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
PubChem CID142464169
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC Name7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)ccc34)ccnc2cc1F
InChIInChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-6-9-32(10-7-19)20-3-4-26-23(17-30-34(26)18-20)21-5-8-29-25-16-24(28)27(35-2)15-22(21)25/h3-5,8,15-19H,6-7,9-14H2,1-2H3
InChIKeyKBTGGQUEDISSMH-UHFFFAOYSA-N
XLogP3.91
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
Dihydropyrrolopyrazole, 7f
CID 21992672
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)-quinoline
CID 12004255
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
Ker-047
CID 142464264
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348
4-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193703
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline (CID 142464169) is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)ccc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The InChIKey is KBTGGQUEDISSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-6-9-32(10-7-19)20-3-4-26-23(17-30-34(26)18-20)21-5-8-29-25-16-24(28)27(35-2)15-22(21)25/h3-5,8,15-19H,6-7,9-14H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline has a molecular weight of 474.58 g/mol, XLogP of 3.91, 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)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142464169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).