3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

C21H23FN4 — CID 70735350

IUPAC3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESCN1CC[C@H]2CN(Cc3c(-c4ccc(F)cc4)nc4ccccn34)C[C@H]21
InChIInChI=1S/C21H23FN4/c1-24-11-9-16-12-25(13-18(16)24)14-19-21(15-5-7-17(22)8-6-15)23-20-4-2-3-10-26(19)20/h2-8,10,16,18H,9,11-14H2,1H3/t16-,18+/m0/s1
InChIKeyNRULYTSWPNKSKK-FUHWJXTLSA-N
MW350.44 g/mol
LogP3.28
Rot. Bonds3

About 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (PubChem CID 70735350) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
PubChem CID70735350
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESCN1CC[C@H]2CN(Cc3c(-c4ccc(F)cc4)nc4ccccn34)C[C@H]21
InChIInChI=1S/C21H23FN4/c1-24-11-9-16-12-25(13-18(16)24)14-19-21(15-5-7-17(22)8-6-15)23-20-4-2-3-10-26(19)20/h2-8,10,16,18H,9,11-14H2,1H3/t16-,18+/m0/s1
InChIKeyNRULYTSWPNKSKK-FUHWJXTLSA-N
XLogP3.28
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine
CID 70777918
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
CID 145325362
3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 134203713
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
[2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 139491988
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015438
[2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methoxyphenyl)methanone
CID 139491971
3-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 90241831

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (CID 70735350) is 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is CN1CC[C@H]2CN(Cc3c(-c4ccc(F)cc4)nc4ccccn34)C[C@H]21.
What is the InChIKey of 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is NRULYTSWPNKSKK-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H23FN4/c1-24-11-9-16-12-25(13-18(16)24)14-19-21(15-5-7-17(22)8-6-15)23-20-4-2-3-10-26(19)20/h2-8,10,16,18H,9,11-14H2,1H3/t16-,18+/m0/s1.
What are the key properties of 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 350.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 70735350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).