5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine

C21H18F3N7 — CID 58179700

IUPAC5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)ccc(F)c3F)c2)cc1
InChIInChI=1S/C21H18F3N7/c1-30(2)11-12-3-5-13(6-4-12)14-9-15(20(25)26-10-14)21-27-28-29-31(21)19-17(23)8-7-16(22)18(19)24/h3-10H,11H2,1-2H3,(H2,25,26)
InChIKeyIBDJIOVXJAWSCQ-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.45
Rot. Bonds5

About 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine

5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 58179700) has the molecular formula C21H18F3N7 and a molecular weight of 425.42 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID58179700
Molecular FormulaC21H18F3N7
Molecular Weight425.42 g/mol
Exact Mass425.16
IUPAC Name5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)ccc(F)c3F)c2)cc1
InChIInChI=1S/C21H18F3N7/c1-30(2)11-12-3-5-13(6-4-12)14-9-15(20(25)26-10-14)21-27-28-29-31(21)19-17(23)8-7-16(22)18(19)24/h3-10H,11H2,1-2H3,(H2,25,26)
InChIKeyIBDJIOVXJAWSCQ-UHFFFAOYSA-N
XLogP3.45
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-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

3-[1-(3,5-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 58180023
3-[1-(2-chloro-3,5-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 58180152
3-[1-(2,3-difluorocyclohexa-2,4-dien-1-yl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 143548685
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 58180024
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
CID 58179668
1-[[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]methyl]pyrrolidin-3-ol
CID 66868230
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine
CID 58179707
1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol
CID 143548758
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenyl]pyridin-2-amine
CID 58180183
3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 58179893
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 58179891
2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate
CID 58179951

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine (CID 58179700) is 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine is CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)ccc(F)c3F)c2)cc1.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is IBDJIOVXJAWSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7/c1-30(2)11-12-3-5-13(6-4-12)14-9-15(20(25)26-10-14)21-27-28-29-31(21)19-17(23)8-7-16(22)18(19)24/h3-10H,11H2,1-2H3,(H2,25,26).
What are the key properties of 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine?
5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 425.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58179700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).