(2-chloro-5-fluorophenyl)-[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]methanone

C27H23Cl2FN4O — CID 129239469

IUPAC(2-chloro-5-fluorophenyl)-[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]methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C27H23Cl2FN4O/c28-20-6-4-17(5-7-20)26-24(34-10-2-1-3-25(34)31-26)16-32-12-18-14-33(15-19(18)13-32)27(35)22-11-21(30)8-9-23(22)29/h1-11,18-19H,12-16H2
InChIKeyFVMNAHCSSKTRTH-UHFFFAOYSA-N
MW509.41 g/mol
LogP5.65
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-[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]methanone

(2-chloro-5-fluorophenyl)-[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]methanone (PubChem CID 129239469) has the molecular formula C27H23Cl2FN4O and a molecular weight of 509.41 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[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]methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[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]methanone
PubChem CID129239469
Molecular FormulaC27H23Cl2FN4O
Molecular Weight509.41 g/mol
Exact Mass508.12
IUPAC Name(2-chloro-5-fluorophenyl)-[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]methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C27H23Cl2FN4O/c28-20-6-4-17(5-7-20)26-24(34-10-2-1-3-25(34)31-26)16-32-12-18-14-33(15-19(18)13-32)27(35)22-11-21(30)8-9-23(22)29/h1-11,18-19H,12-16H2
InChIKeyFVMNAHCSSKTRTH-UHFFFAOYSA-N
XLogP5.65
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-5-fluorophenyl)-[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]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[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]methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-[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]methanone (CID 129239469) is (2-chloro-5-fluorophenyl)-[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]methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[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]methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[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]methanone is O=C(c1cc(F)ccc1Cl)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[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]methanone?
The InChIKey is FVMNAHCSSKTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2FN4O/c28-20-6-4-17(5-7-20)26-24(34-10-2-1-3-25(34)31-26)16-32-12-18-14-33(15-19(18)13-32)27(35)22-11-21(30)8-9-23(22)29/h1-11,18-19H,12-16H2.
What are the key properties of (2-chloro-5-fluorophenyl)-[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]methanone?
(2-chloro-5-fluorophenyl)-[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]methanone has a molecular weight of 509.41 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[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]methanone is sourced from PubChem (CID 129239469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).