6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C27H25FN6 — CID 139326534

IUPAC6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN[C@H](C)C5)nc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H25FN6/c1-17-11-23(22-13-21(28)4-5-24(22)32-17)25-15-31-27-12-19(7-9-34(25)27)20-3-6-26(30-14-20)33-10-8-29-18(2)16-33/h3-7,9,11-15,18,29H,8,10,16H2,1-2H3/t18-/m1/s1
InChIKeyFEHGXIRHYJZNRC-GOSISDBHSA-N
MW452.54 g/mol
LogP4.86
Rot. Bonds3

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

6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326534) has the molecular formula C27H25FN6 and a molecular weight of 452.54 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326534
Molecular FormulaC27H25FN6
Molecular Weight452.54 g/mol
Exact Mass452.21
IUPAC Name6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN[C@H](C)C5)nc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H25FN6/c1-17-11-23(22-13-21(28)4-5-24(22)32-17)25-15-31-27-12-19(7-9-34(25)27)20-3-6-26(30-14-20)33-10-8-29-18(2)16-33/h3-7,9,11-15,18,29H,8,10,16H2,1-2H3/t18-/m1/s1
InChIKeyFEHGXIRHYJZNRC-GOSISDBHSA-N
XLogP4.86
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326534) is 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN[C@H](C)C5)nc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is FEHGXIRHYJZNRC-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25FN6/c1-17-11-23(22-13-21(28)4-5-24(22)32-17)25-15-31-27-12-19(7-9-34(25)27)20-3-6-26(30-14-20)33-10-8-29-18(2)16-33/h3-7,9,11-15,18,29H,8,10,16H2,1-2H3/t18-/m1/s1.
What are the key properties of 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 452.54 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).