[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]-(5-fluoro-2-methoxyphenyl)methanone

C28H26ClFN4O2 — CID 139491999

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]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C28H26ClFN4O2/c1-36-25-10-9-22(30)12-23(25)28(35)33-15-19-13-32(14-20(19)16-33)17-24-27(18-5-7-21(29)8-6-18)31-26-4-2-3-11-34(24)26/h2-12,19-20H,13-17H2,1H3
InChIKeyNMVDNZPTQCCLBJ-UHFFFAOYSA-N
MW504.99 g/mol
LogP5.01
Rot. Bonds5

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]-(5-fluoro-2-methoxyphenyl)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]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 139491999) has the molecular formula C28H26ClFN4O2 and a molecular weight of 504.99 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]-(5-fluoro-2-methoxyphenyl)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]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID139491999
Molecular FormulaC28H26ClFN4O2
Molecular Weight504.99 g/mol
Exact Mass504.17
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]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C28H26ClFN4O2/c1-36-25-10-9-22(30)12-23(25)28(35)33-15-19-13-32(14-20(19)16-33)17-24-27(18-5-7-21(29)8-6-18)31-26-4-2-3-11-34(24)26/h2-12,19-20H,13-17H2,1H3
InChIKeyNMVDNZPTQCCLBJ-UHFFFAOYSA-N
XLogP5.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.99
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-(5-fluoro-2-methoxyphenyl)methanone with MolForge

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Related Compounds

2-(4-Chlorophenyl)-5-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)furo[3,2-c]pyridin-4(5H)-one
CID 71816518
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methyl-3-pyridinyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766999
US20230348426, Example 717
CID 169319052
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 3588219
N-[8-[(4-chlorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N,4-dimethylbenzamide
CID 46943960
6-chloro-2-ethyl-N-[[4-[5-[4-(trifluoromethoxy)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155512579
6-chloro-2-ethyl-N-[[4-[2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155519149
2-methoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 916291
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(5-fluoro-2-methoxypyridin-4-yl)-3-propyl-5,6-dihydropyrrolo[3,4-d]imidazol-4(3H)-one
CID 86567636
3-[4-(4-chlorophenyl)-5-(5-chloro-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-methoxy-N,N-dimethylbenzamide
CID 86766983
4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyphenyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826380
US9890166, Example 137
CID 117723262

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]-(5-fluoro-2-methoxyphenyl)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]-(5-fluoro-2-methoxyphenyl)methanone (CID 139491999) 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]-(5-fluoro-2-methoxyphenyl)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]-(5-fluoro-2-methoxyphenyl)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]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)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]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is NMVDNZPTQCCLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN4O2/c1-36-25-10-9-22(30)12-23(25)28(35)33-15-19-13-32(14-20(19)16-33)17-24-27(18-5-7-21(29)8-6-18)31-26-4-2-3-11-34(24)26/h2-12,19-20H,13-17H2,1H3.
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]-(5-fluoro-2-methoxyphenyl)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]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 504.99 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 139491999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).