6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline

C32H32ClFN6 — CID 146662091

IUPAC6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4ccc(-c5c(-c6cc(Cl)ccc6F)nc6ccccn56)cc4c3)CC2)CC1
InChIInChI=1S/C32H32ClFN6/c1-37-14-16-39(17-15-37)25-9-12-38(13-10-25)26-19-23-18-22(5-8-29(23)35-21-26)32-31(27-20-24(33)6-7-28(27)34)36-30-4-2-3-11-40(30)32/h2-8,11,18-21,25H,9-10,12-17H2,1H3
InChIKeyXONWNBSHUVKARJ-UHFFFAOYSA-N
MW555.10 g/mol
LogP6.23
Rot. Bonds4

About 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline

6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline (PubChem CID 146662091) has the molecular formula C32H32ClFN6 and a molecular weight of 555.10 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline
PubChem CID146662091
Molecular FormulaC32H32ClFN6
Molecular Weight555.10 g/mol
Exact Mass554.24
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4ccc(-c5c(-c6cc(Cl)ccc6F)nc6ccccn56)cc4c3)CC2)CC1
InChIInChI=1S/C32H32ClFN6/c1-37-14-16-39(17-15-37)25-9-12-38(13-10-25)26-19-23-18-22(5-8-29(23)35-21-26)32-31(27-20-24(33)6-7-28(27)34)36-30-4-2-3-11-40(30)32/h2-8,11,18-21,25H,9-10,12-17H2,1H3
InChIKeyXONWNBSHUVKARJ-UHFFFAOYSA-N
XLogP6.23
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.10
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline (CID 146662091) is 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline is CN1CCN(C2CCN(c3cnc4ccc(-c5c(-c6cc(Cl)ccc6F)nc6ccccn56)cc4c3)CC2)CC1.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
The InChIKey is XONWNBSHUVKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClFN6/c1-37-14-16-39(17-15-37)25-9-12-38(13-10-25)26-19-23-18-22(5-8-29(23)35-21-26)32-31(27-20-24(33)6-7-28(27)34)36-30-4-2-3-11-40(30)32/h2-8,11,18-21,25H,9-10,12-17H2,1H3.
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline has a molecular weight of 555.10 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 146662091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).