N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C17H18F3N7O2 — CID 155860883

IUPACN-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cnc3n2C(CNc2ncccn2)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17N7.C2HF3O2/c1-21-10-11(7-20-21)13-9-18-14-4-3-12(22(13)14)8-19-15-16-5-2-6-17-15;3-2(4,5)1(6)7/h2,5-7,9-10,12H,3-4,8H2,1H3,(H,16,17,19);(H,6,7)
InChIKeyGOVWVYRWKVQMIP-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.31
Rot. Bonds4

About N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 155860883) has the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID155860883
Molecular FormulaC17H18F3N7O2
Molecular Weight409.37 g/mol
Exact Mass409.15
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cnc3n2C(CNc2ncccn2)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17N7.C2HF3O2/c1-21-10-11(7-20-21)13-9-18-14-4-3-12(22(13)14)8-19-15-16-5-2-6-17-15;3-2(4,5)1(6)7/h2,5-7,9-10,12H,3-4,8H2,1H3,(H,16,17,19);(H,6,7)
InChIKeyGOVWVYRWKVQMIP-UHFFFAOYSA-N
XLogP2.31
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 155860883) is N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is Cn1cc(-c2cnc3n2C(CNc2ncccn2)CC3)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GOVWVYRWKVQMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7.C2HF3O2/c1-21-10-11(7-20-21)13-9-18-14-4-3-12(22(13)14)8-19-15-16-5-2-6-17-15;3-2(4,5)1(6)7/h2,5-7,9-10,12H,3-4,8H2,1H3,(H,16,17,19);(H,6,7).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 409.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).