8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine

C22H27FN6 — CID 145424877

IUPAC8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2c(CN3CCCC3c3ccccn3)nc3c(F)cccn23)CC1
InChIInChI=1S/C22H27FN6/c1-26-12-14-27(15-13-26)22-19(25-21-17(23)6-4-11-29(21)22)16-28-10-5-8-20(28)18-7-2-3-9-24-18/h2-4,6-7,9,11,20H,5,8,10,12-16H2,1H3
InChIKeyPOUIKZXCIXFRAQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.96
Rot. Bonds4

About 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine

8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 145424877) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID145424877
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2c(CN3CCCC3c3ccccn3)nc3c(F)cccn23)CC1
InChIInChI=1S/C22H27FN6/c1-26-12-14-27(15-13-26)22-19(25-21-17(23)6-4-11-29(21)22)16-28-10-5-8-20(28)18-7-2-3-9-24-18/h2-4,6-7,9,11,20H,5,8,10,12-16H2,1H3
InChIKeyPOUIKZXCIXFRAQ-UHFFFAOYSA-N
XLogP2.96
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

7-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 145424929
2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424828
ethane;4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 142549056
2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 145424881
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 124955563
6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 110113735
5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole
CID 42522026

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 145424877) is 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is CN1CCN(c2c(CN3CCCC3c3ccccn3)nc3c(F)cccn23)CC1.
What is the InChIKey of 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is POUIKZXCIXFRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6/c1-26-12-14-27(15-13-26)22-19(25-21-17(23)6-4-11-29(21)22)16-28-10-5-8-20(28)18-7-2-3-9-24-18/h2-4,6-7,9,11,20H,5,8,10,12-16H2,1H3.
What are the key properties of 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 394.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).