(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

C38H40Cl2N5O2+ — CID 175373267

IUPAC(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CN(C2=CC(C)c4cccc[n+]42)C3=O)cc(C)c1Cl
InChIInChI=1S/C38H40Cl2N5O2/c1-21-19-32(43-15-9-8-12-31(21)43)44-20-24(4)45-36-29(13-14-30(39)34(36)33-25(5)41-42(7)26(33)6)28(37(45)38(44)46)11-10-16-47-27-17-22(2)35(40)23(3)18-27/h8-9,12-15,17-19,21,24H,10-11,16,20H2,1-7H3/q+1/t21?,24-/m1/s1
InChIKeyWPNPJGFWZGYSGX-MQNHUJCZSA-N
MW669.68 g/mol
LogP8.51
Rot. Bonds7

About (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 175373267) has the molecular formula C38H40Cl2N5O2+ and a molecular weight of 669.68 g/mol. Its IUPAC name is (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID175373267
Molecular FormulaC38H40Cl2N5O2+
Molecular Weight669.68 g/mol
Exact Mass668.26
IUPAC Name(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CN(C2=CC(C)c4cccc[n+]42)C3=O)cc(C)c1Cl
InChIInChI=1S/C38H40Cl2N5O2/c1-21-19-32(43-15-9-8-12-31(21)43)44-20-24(4)45-36-29(13-14-30(39)34(36)33-25(5)41-42(7)26(33)6)28(37(45)38(44)46)11-10-16-47-27-17-22(2)35(40)23(3)18-27/h8-9,12-15,17-19,21,24H,10-11,16,20H2,1-7H3/q+1/t21?,24-/m1/s1
InChIKeyWPNPJGFWZGYSGX-MQNHUJCZSA-N
XLogP8.51
TPSA56.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.68
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 175373267) is (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CN(C2=CC(C)c4cccc[n+]42)C3=O)cc(C)c1Cl.
What is the InChIKey of (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is WPNPJGFWZGYSGX-MQNHUJCZSA-N. The full InChI is InChI=1S/C38H40Cl2N5O2/c1-21-19-32(43-15-9-8-12-31(21)43)44-20-24(4)45-36-29(13-14-30(39)34(36)33-25(5)41-42(7)26(33)6)28(37(45)38(44)46)11-10-16-47-27-17-22(2)35(40)23(3)18-27/h8-9,12-15,17-19,21,24H,10-11,16,20H2,1-7H3/q+1/t21?,24-/m1/s1.
What are the key properties of (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 669.68 g/mol, XLogP of 8.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-2-(1-methyl-1H-indolizin-4-ium-3-yl)-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 175373267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).