2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid

C21H20F5N7O3 — CID 138619344

IUPAC2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3ccnn3C)nn12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19F2N7O.C2HF3O2/c1-10-4-5-11(19(2,29)18(20)21)8-12(10)14-9-23-17-15(22)25-16(26-28(14)17)13-6-7-24-27(13)3;3-2(4,5)1(6)7/h4-9,18,29H,1-3H3,(H2,22,25,26);(H,6,7)
InChIKeyCSEBAOCXZMEHSR-UHFFFAOYSA-N
MW513.43 g/mol
LogP3.19
Rot. Bonds4

About 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid

2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 138619344) has the molecular formula C21H20F5N7O3 and a molecular weight of 513.43 g/mol. Its IUPAC name is 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID138619344
Molecular FormulaC21H20F5N7O3
Molecular Weight513.43 g/mol
Exact Mass513.15
IUPAC Name2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3ccnn3C)nn12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19F2N7O.C2HF3O2/c1-10-4-5-11(19(2,29)18(20)21)8-12(10)14-9-23-17-15(22)25-16(26-28(14)17)13-6-7-24-27(13)3;3-2(4,5)1(6)7/h4-9,18,29H,1-3H3,(H2,22,25,26);(H,6,7)
InChIKeyCSEBAOCXZMEHSR-UHFFFAOYSA-N
XLogP3.19
TPSA144.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid 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-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 91933887
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
CID 127028197
[3-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155534735
[4-[3-[3-(Hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126672786
4-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525615
(S)-2-methyl-3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525712
2-[4-Methyl-3-(7-methyl-11-propan-2-yl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol
CID 89968358
US11098041, Example 32
CID 121249889
US9884868, Example 253''
CID 122510424
US9884868, Example 265''
CID 122510505
US9884868, Example 256''
CID 122510918

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid (CID 138619344) is 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3ccnn3C)nn12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is CSEBAOCXZMEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O.C2HF3O2/c1-10-4-5-11(19(2,29)18(20)21)8-12(10)14-9-23-17-15(22)25-16(26-28(14)17)13-6-7-24-27(13)3;3-2(4,5)1(6)7/h4-9,18,29H,1-3H3,(H2,22,25,26);(H,6,7).
What are the key properties of 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 513.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138619344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).