2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine

C17H16F3N3 — CID 67421486

IUPAC2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCc1[nH]c2c(NCc3ccccc3C(F)(F)F)nccc2c1C
InChIInChI=1S/C17H16F3N3/c1-10-11(2)23-15-13(10)7-8-21-16(15)22-9-12-5-3-4-6-14(12)17(18,19)20/h3-8,23H,9H2,1-2H3,(H,21,22)
InChIKeyXVULKMYPKDWOJD-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.81
Rot. Bonds3

About 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine

2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine (PubChem CID 67421486) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
PubChem CID67421486
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCc1[nH]c2c(NCc3ccccc3C(F)(F)F)nccc2c1C
InChIInChI=1S/C17H16F3N3/c1-10-11(2)23-15-13(10)7-8-21-16(15)22-9-12-5-3-4-6-14(12)17(18,19)20/h3-8,23H,9H2,1-2H3,(H,21,22)
InChIKeyXVULKMYPKDWOJD-UHFFFAOYSA-N
XLogP4.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine 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

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79632925
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61402525
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
5-chloro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80746872
N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56676786
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
8-N-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328723
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine (CID 67421486) is 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine is Cc1[nH]c2c(NCc3ccccc3C(F)(F)F)nccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is XVULKMYPKDWOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-10-11(2)23-15-13(10)7-8-21-16(15)22-9-12-5-3-4-6-14(12)17(18,19)20/h3-8,23H,9H2,1-2H3,(H,21,22).
What are the key properties of 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 319.33 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 67421486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).