[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

C23H24Cl2F3N3O2 — CID 162613870

IUPAC[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCN1C(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)=CC2C1=NC(C(F)(F)F)=CC2(C)C
InChIInChI=1S/C23H24Cl2F3N3O2/c1-22(2)12-18(23(26,27)28)29-20-16(22)11-13(30(20)3)10-15-17(24)5-4-14(19(15)25)21(32)31-6-8-33-9-7-31/h4-5,11-12,16H,6-10H2,1-3H3
InChIKeyHMYQADXDZMDYIV-UHFFFAOYSA-N
MW502.36 g/mol
LogP5.34
Rot. Bonds3

About [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 162613870) has the molecular formula C23H24Cl2F3N3O2 and a molecular weight of 502.36 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID162613870
Molecular FormulaC23H24Cl2F3N3O2
Molecular Weight502.36 g/mol
Exact Mass501.12
IUPAC Name[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCN1C(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)=CC2C1=NC(C(F)(F)F)=CC2(C)C
InChIInChI=1S/C23H24Cl2F3N3O2/c1-22(2)12-18(23(26,27)28)29-20-16(22)11-13(30(20)3)10-15-17(24)5-4-14(19(15)25)21(32)31-6-8-33-9-7-31/h4-5,11-12,16H,6-10H2,1-3H3
InChIKeyHMYQADXDZMDYIV-UHFFFAOYSA-N
XLogP5.34
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
CID 146493846
[2,4-dichloro-3-[[7-(1,1-difluoroethyl)-3,9-dimethyl-5,5a-dihydro-4H-1-benzazepin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
CID 145206710
[2,4-dichloro-3-[(5-ethynyl-1-methylindol-2-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 162228980
2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbaldehyde
CID 146493931
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 160745487
1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 160545733
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3,3-dimethylazetidin-1-yl)methanone
CID 146493803
3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 158667689
[2,4-dichloro-3-[[1,4,5-trimethyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazol-2-yl]methyl]phenyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 146493882
2-azaspiro[3.3]heptan-2-yl-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 160572105

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (CID 162613870) is [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is CN1C(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)=CC2C1=NC(C(F)(F)F)=CC2(C)C.
What is the InChIKey of [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HMYQADXDZMDYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2F3N3O2/c1-22(2)12-18(23(26,27)28)29-20-16(22)11-13(30(20)3)10-15-17(24)5-4-14(19(15)25)21(32)31-6-8-33-9-7-31/h4-5,11-12,16H,6-10H2,1-3H3.
What are the key properties of [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 502.36 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162613870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).