6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C30H30FN5 — CID 139326550

IUPAC6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C30H30FN5/c1-20(2)34-12-14-35(15-13-34)25-7-4-22(5-8-25)23-10-11-36-29(19-32-30(36)17-23)27-16-21(3)33-28-9-6-24(31)18-26(27)28/h4-11,16-20H,12-15H2,1-3H3
InChIKeyKNPAYODHVLRPPC-UHFFFAOYSA-N
MW479.60 g/mol
LogP6.19
Rot. Bonds4

About 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326550) has the molecular formula C30H30FN5 and a molecular weight of 479.60 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326550
Molecular FormulaC30H30FN5
Molecular Weight479.60 g/mol
Exact Mass479.25
IUPAC Name6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C30H30FN5/c1-20(2)34-12-14-35(15-13-34)25-7-4-22(5-8-25)23-10-11-36-29(19-32-30(36)17-23)27-16-21(3)33-28-9-6-24(31)18-26(27)28/h4-11,16-20H,12-15H2,1-3H3
InChIKeyKNPAYODHVLRPPC-UHFFFAOYSA-N
XLogP6.19
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326550) is 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)cc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is KNPAYODHVLRPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5/c1-20(2)34-12-14-35(15-13-34)25-7-4-22(5-8-25)23-10-11-36-29(19-32-30(36)17-23)27-16-21(3)33-28-9-6-24(31)18-26(27)28/h4-11,16-20H,12-15H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 479.60 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).