N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

C22H23F4N7 — CID 173179344

IUPACN-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
SMILESCCc1cc2cc(CN(Cc3cc(F)cc(C(F)(F)F)c3)c3nnn(C)n3)cnc2n1CC
InChIInChI=1S/C22H23F4N7/c1-4-19-9-16-6-15(11-27-20(16)33(19)5-2)13-32(21-28-30-31(3)29-21)12-14-7-17(22(24,25)26)10-18(23)8-14/h6-11H,4-5,12-13H2,1-3H3
InChIKeyUPZHZVYOZODTMX-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.51
Rot. Bonds7

About N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 173179344) has the molecular formula C22H23F4N7 and a molecular weight of 461.47 g/mol. Its IUPAC name is N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
PubChem CID173179344
Molecular FormulaC22H23F4N7
Molecular Weight461.47 g/mol
Exact Mass461.20
IUPAC NameN-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
SMILESCCc1cc2cc(CN(Cc3cc(F)cc(C(F)(F)F)c3)c3nnn(C)n3)cnc2n1CC
InChIInChI=1S/C22H23F4N7/c1-4-19-9-16-6-15(11-27-20(16)33(19)5-2)13-32(21-28-30-31(3)29-21)12-14-7-17(22(24,25)26)10-18(23)8-14/h6-11H,4-5,12-13H2,1-3H3
InChIKeyUPZHZVYOZODTMX-UHFFFAOYSA-N
XLogP4.51
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(1,2,6-triethylpyrrolo[2,3-b]pyridin-5-yl)methyl]tetrazol-5-amine
CID 173179313
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(1,3-diethylpyrazolo[3,4-b]pyridin-5-yl)methyl]-2-methyltetrazol-5-amine
CID 173179314
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966457
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 162582007
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-bromo-4-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-2-methyltetrazol-5-amine
CID 162583578
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyltetrazol-5-amine
CID 57486811
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(E)-C-ethyl-N-methoxycarbonimidoyl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-2-methyltetrazol-5-amine
CID 25012395
5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(2,2-dimethylpropyl)-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
CID 11707017
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 11721268
N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 87636189
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966549
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[(1S)-1-piperidin-1-ylpropyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 24757852

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The IUPAC name of N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 173179344) is N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.
What is the SMILES notation for N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The canonical SMILES for N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is CCc1cc2cc(CN(Cc3cc(F)cc(C(F)(F)F)c3)c3nnn(C)n3)cnc2n1CC.
What is the InChIKey of N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The InChIKey is UPZHZVYOZODTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N7/c1-4-19-9-16-6-15(11-27-20(16)33(19)5-2)13-32(21-28-30-31(3)29-21)12-14-7-17(22(24,25)26)10-18(23)8-14/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 461.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-diethylpyrrolo[2,3-b]pyridin-5-yl)methyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 173179344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).