2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C20H19F2N7 — CID 166163946

IUPAC2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)(C)c2cccc(F)c2F)nc(-c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C20H19F2N7/c1-20(2,13-5-4-6-14(21)16(13)22)28-19-26-17(25-18(23-3)27-19)11-7-8-12-10-24-29-15(12)9-11/h4-10H,1-3H3,(H,24,29)(H2,23,25,26,27,28)
InChIKeyWZJNAWQRFPTJAO-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.08
Rot. Bonds5

About 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 166163946) has the molecular formula C20H19F2N7 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID166163946
Molecular FormulaC20H19F2N7
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)(C)c2cccc(F)c2F)nc(-c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C20H19F2N7/c1-20(2,13-5-4-6-14(21)16(13)22)28-19-26-17(25-18(23-3)27-19)11-7-8-12-10-24-29-15(12)9-11/h4-10H,1-3H3,(H,24,29)(H2,23,25,26,27,28)
InChIKeyWZJNAWQRFPTJAO-UHFFFAOYSA-N
XLogP4.08
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine 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

6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 166164105
2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 167249785
6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 167249982
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole
CID 141354844
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1H-indazol-5-amine
CID 162631226
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
N-[5-fluoro-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 166862856
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-[1-(2-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715178

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 166163946) is 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)(C)c2cccc(F)c2F)nc(-c2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WZJNAWQRFPTJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7/c1-20(2,13-5-4-6-14(21)16(13)22)28-19-26-17(25-18(23-3)27-19)11-7-8-12-10-24-29-15(12)9-11/h4-10H,1-3H3,(H,24,29)(H2,23,25,26,27,28).
What are the key properties of 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 395.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,3-difluorophenyl)propan-2-yl]-6-(1H-indazol-6-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166163946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).