[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

C27H24ClFN4O — CID 139491988

IUPAC[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
SMILESO=C(c1ccccc1F)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C27H24ClFN4O/c28-21-10-8-18(9-11-21)26-24(33-12-4-3-7-25(33)30-26)17-31-13-19-15-32(16-20(19)14-31)27(34)22-5-1-2-6-23(22)29/h1-12,19-20H,13-17H2
InChIKeyYVZFHGSKFXDMSC-UHFFFAOYSA-N
MW474.97 g/mol
LogP5.00
Rot. Bonds4

About [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

[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 (PubChem CID 139491988) has the molecular formula C27H24ClFN4O and a molecular weight of 474.97 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID139491988
Molecular FormulaC27H24ClFN4O
Molecular Weight474.97 g/mol
Exact Mass474.16
IUPAC Name[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
SMILESO=C(c1ccccc1F)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C27H24ClFN4O/c28-21-10-8-18(9-11-21)26-24(33-12-4-3-7-25(33)30-26)17-31-13-19-15-32(16-20(19)14-31)27(34)22-5-1-2-6-23(22)29/h1-12,19-20H,13-17H2
InChIKeyYVZFHGSKFXDMSC-UHFFFAOYSA-N
XLogP5.00
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [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 with MolForge

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Related Compounds

[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
2-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 129225915
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
CID 163785356
[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone
CID 147613404
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203626
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-cyclohexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203756
7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 134203633
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone
CID 146602426
(3-chloro-6-methoxy-2-pyridinyl)-[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
CID 134203589

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(c1ccccc1F)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1.
What is the InChIKey of [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?
The InChIKey is YVZFHGSKFXDMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O/c28-21-10-8-18(9-11-21)26-24(33-12-4-3-7-25(33)30-26)17-31-13-19-15-32(16-20(19)14-31)27(34)22-5-1-2-6-23(22)29/h1-12,19-20H,13-17H2.
What are the key properties of [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?
[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 has a molecular weight of 474.97 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 139491988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).