2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C22H27FN6 — CID 145424828

IUPAC2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCN(c2c(CN3CCCC3c3ccc(F)cn3)nc3ccccn23)CC1
InChIInChI=1S/C22H27FN6/c1-26-11-13-27(14-12-26)22-19(25-21-6-2-3-10-29(21)22)16-28-9-4-5-20(28)18-8-7-17(23)15-24-18/h2-3,6-8,10,15,20H,4-5,9,11-14,16H2,1H3
InChIKeyDNYMJTONEGMSFO-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.96
Rot. Bonds4

About 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424828) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424828
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCN(c2c(CN3CCCC3c3ccc(F)cn3)nc3ccccn23)CC1
InChIInChI=1S/C22H27FN6/c1-26-11-13-27(14-12-26)22-19(25-21-6-2-3-10-29(21)22)16-28-9-4-5-20(28)18-8-7-17(23)15-24-18/h2-3,6-8,10,15,20H,4-5,9,11-14,16H2,1H3
InChIKeyDNYMJTONEGMSFO-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

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Related Compounds

7-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 145424929
8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 145424877
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
CID 138501437
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
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
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442018
3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136934
3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 129344593
(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one
CID 170250548

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424828) is 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is CN1CCN(c2c(CN3CCCC3c3ccc(F)cn3)nc3ccccn23)CC1.
What is the InChIKey of 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is DNYMJTONEGMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6/c1-26-11-13-27(14-12-26)22-19(25-21-6-2-3-10-29(21)22)16-28-9-4-5-20(28)18-8-7-17(23)15-24-18/h2-3,6-8,10,15,20H,4-5,9,11-14,16H2,1H3.
What are the key properties of 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)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 2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).