N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide

C23H26F3N3O2 — CID 161271654

IUPACN,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1cc(OC(F)(F)F)cc(C(C)C)c1Cc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C23H26F3N3O2/c1-14(2)18-11-16(31-23(24,25)26)10-15(3)19(18)12-20-17-7-9-29(13-22(30)28(4)5)21(17)6-8-27-20/h6-11,14H,12-13H2,1-5H3
InChIKeyVDWZSRBIZMAHIO-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.05
Rot. Bonds6

About N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide

N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide (PubChem CID 161271654) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
PubChem CID161271654
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1cc(OC(F)(F)F)cc(C(C)C)c1Cc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C23H26F3N3O2/c1-14(2)18-11-16(31-23(24,25)26)10-15(3)19(18)12-20-17-7-9-29(13-22(30)28(4)5)21(17)6-8-27-20/h6-11,14H,12-13H2,1-5H3
InChIKeyVDWZSRBIZMAHIO-UHFFFAOYSA-N
XLogP5.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 146283990
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885
4-[[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]methyl]-1-(2,2-difluoro-3-methylbutyl)pyrrolo[3,2-c]pyridine
CID 158715554
4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine
CID 71212575
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 156521862
4-chloro-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 89376018
2-N-[4-(dimethylamino)-4-oxobutan-2-yl]-1-N-[2-methyl-4-(trifluoromethoxy)phenyl]benzene-1,2-dicarboxamide
CID 22066246
1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine
CID 158765655
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46396004
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide (CID 161271654) is N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide is Cc1cc(OC(F)(F)F)cc(C(C)C)c1Cc1nccc2c1ccn2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The InChIKey is VDWZSRBIZMAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-14(2)18-11-16(31-23(24,25)26)10-15(3)19(18)12-20-17-7-9-29(13-22(30)28(4)5)21(17)6-8-27-20/h6-11,14H,12-13H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 161271654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).