7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline

C27H31FN6O — CID 142464146

IUPAC7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnc4cc(N5CCC(N6CCN(C)CC6)CC5)ccn34)ccnc2cc1F
InChIInChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-4-8-32(9-5-19)20-6-10-34-25(18-30-27(34)15-20)21-3-7-29-24-17-23(28)26(35-2)16-22(21)24/h3,6-7,10,15-19H,4-5,8-9,11-14H2,1-2H3
InChIKeyXYPGCRBOKJXKFY-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.91
Rot. Bonds4

About 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline

7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 142464146) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID142464146
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC Name7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnc4cc(N5CCC(N6CCN(C)CC6)CC5)ccn34)ccnc2cc1F
InChIInChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-4-8-32(9-5-19)20-6-10-34-25(18-30-27(34)15-20)21-3-7-29-24-17-23(28)26(35-2)16-22(21)24/h3,6-7,10,15-19H,4-5,8-9,11-14H2,1-2H3
InChIKeyXYPGCRBOKJXKFY-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 142464146) is 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline is COc1cc2c(-c3cnc4cc(N5CCC(N6CCN(C)CC6)CC5)ccn34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is XYPGCRBOKJXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-31-11-13-33(14-12-31)19-4-8-32(9-5-19)20-6-10-34-25(18-30-27(34)15-20)21-3-7-29-24-17-23(28)26(35-2)16-22(21)24/h3,6-7,10,15-19H,4-5,8-9,11-14H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-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-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142464146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).