N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C23H19F4N5 — CID 10114202

IUPACN-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESFc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)n[nH]c12
InChIInChI=1S/C23H19F4N5/c24-17-11-6-9-15-19(17)31-32-22(15)30-21-14-8-2-1-3-12-18(14)28-20(29-21)13-7-4-5-10-16(13)23(25,26)27/h4-7,9-11H,1-3,8,12H2,(H2,28,29,30,31,32)
InChIKeyPSMNPIDHPVVEFC-UHFFFAOYSA-N
MW441.43 g/mol
LogP6.19
Rot. Bonds3

About N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 10114202) has the molecular formula C23H19F4N5 and a molecular weight of 441.43 g/mol. Its IUPAC name is N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID10114202
Molecular FormulaC23H19F4N5
Molecular Weight441.43 g/mol
Exact Mass441.16
IUPAC NameN-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESFc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)n[nH]c12
InChIInChI=1S/C23H19F4N5/c24-17-11-6-9-15-19(17)31-32-22(15)30-21-14-8-2-1-3-12-18(14)28-20(29-21)13-7-4-5-10-16(13)23(25,26)27/h4-7,9-11H,1-3,8,12H2,(H2,28,29,30,31,32)
InChIKeyPSMNPIDHPVVEFC-UHFFFAOYSA-N
XLogP6.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-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 N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 10114202) is N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)n[nH]c12.
What is the InChIKey of N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is PSMNPIDHPVVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5/c24-17-11-6-9-15-19(17)31-32-22(15)30-21-14-8-2-1-3-12-18(14)28-20(29-21)13-7-4-5-10-16(13)23(25,26)27/h4-7,9-11H,1-3,8,12H2,(H2,28,29,30,31,32).
What are the key properties of N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 441.43 g/mol, XLogP of 6.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 10114202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).