7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine

C21H15F4N5 — CID 10126939

IUPAC7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCC4)n[nH]c12
InChIInChI=1S/C21H15F4N5/c22-15-9-3-7-13-17(15)29-30-20(13)28-19-12-6-4-10-16(12)26-18(27-19)11-5-1-2-8-14(11)21(23,24)25/h1-3,5,7-9H,4,6,10H2,(H2,26,27,28,29,30)
InChIKeyIVTKHMVHJABWMY-UHFFFAOYSA-N
MW413.38 g/mol
LogP5.41
Rot. Bonds3

About 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine

7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 10126939) has the molecular formula C21H15F4N5 and a molecular weight of 413.38 g/mol. Its IUPAC name is 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID10126939
Molecular FormulaC21H15F4N5
Molecular Weight413.38 g/mol
Exact Mass413.13
IUPAC Name7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCC4)n[nH]c12
InChIInChI=1S/C21H15F4N5/c22-15-9-3-7-13-17(15)29-30-20(13)28-19-12-6-4-10-16(12)26-18(27-19)11-5-1-2-8-14(11)21(23,24)25/h1-3,5,7-9H,4,6,10H2,(H2,26,27,28,29,30)
InChIKeyIVTKHMVHJABWMY-UHFFFAOYSA-N
XLogP5.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.38
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine 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 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine (CID 10126939) is 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine is Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCC4)n[nH]c12.
What is the InChIKey of 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is IVTKHMVHJABWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5/c22-15-9-3-7-13-17(15)29-30-20(13)28-19-12-6-4-10-16(12)26-18(27-19)11-5-1-2-8-14(11)21(23,24)25/h1-3,5,7-9H,4,6,10H2,(H2,26,27,28,29,30).
What are the key properties of 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine?
7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 413.38 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10126939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).