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

C32H39FN6O3 — CID 142464278

IUPAC7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F
InChIInChI=1S/C32H39FN6O3/c1-36-11-13-38(14-12-36)22-4-9-37(10-5-22)23-17-31(42-24-6-15-41-16-7-24)32-27(20-35-39(32)21-23)25-3-8-34-29-19-28(33)30(40-2)18-26(25)29/h3,8,17-22,24H,4-7,9-16H2,1-2H3
InChIKeyQVOBWXCYQKVMAD-UHFFFAOYSA-N
MW574.70 g/mol
LogP4.47
Rot. Bonds6

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

7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline (PubChem CID 142464278) has the molecular formula C32H39FN6O3 and a molecular weight of 574.70 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)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]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
PubChem CID142464278
Molecular FormulaC32H39FN6O3
Molecular Weight574.70 g/mol
Exact Mass574.31
IUPAC Name7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F
InChIInChI=1S/C32H39FN6O3/c1-36-11-13-38(14-12-36)22-4-9-37(10-5-22)23-17-31(42-24-6-15-41-16-7-24)32-27(20-35-39(32)21-23)25-3-8-34-29-19-28(33)30(40-2)18-26(25)29/h3,8,17-22,24H,4-7,9-16H2,1-2H3
InChIKeyQVOBWXCYQKVMAD-UHFFFAOYSA-N
XLogP4.47
TPSA67.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.70
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 90665374
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668361
4-(2-Fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193706
4-[2-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193710
3-(2-Fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193713
8-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11517420
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 68578314
US9725449, Example 301
CID 122694923
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(3-(2-morpholinoethoxy)phenyl)propan-2-amine
CID 45481745
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668364
4-[4-(2-Fluoroethyl)triazol-1-yl]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193712
6-(2-Fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193715

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)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]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline (CID 142464278) is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)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]-4-(oxan-4-yloxy)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]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The InChIKey is QVOBWXCYQKVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O3/c1-36-11-13-38(14-12-36)22-4-9-37(10-5-22)23-17-31(42-24-6-15-41-16-7-24)32-27(20-35-39(32)21-23)25-3-8-34-29-19-28(33)30(40-2)18-26(25)29/h3,8,17-22,24H,4-7,9-16H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline has a molecular weight of 574.70 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 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]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142464278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).