1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine

C20H21F3N4 — CID 167300671

IUPAC1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
SMILESCn1ncc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc21
InChIInChI=1S/C20H21F3N4/c1-26-19-7-4-17(12-14(19)13-24-26)25-16-2-5-18(6-3-16)27-10-8-15(9-11-27)20(21,22)23/h2-7,12-13,15,25H,8-11H2,1H3
InChIKeyRJIBARLBUNJVJB-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.10
Rot. Bonds3

About 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine

1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine (PubChem CID 167300671) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
PubChem CID167300671
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
SMILESCn1ncc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc21
InChIInChI=1S/C20H21F3N4/c1-26-19-7-4-17(12-14(19)13-24-26)25-16-2-5-18(6-3-16)27-10-8-15(9-11-27)20(21,22)23/h2-7,12-13,15,25H,8-11H2,1H3
InChIKeyRJIBARLBUNJVJB-UHFFFAOYSA-N
XLogP5.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine?
The IUPAC name of 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine (CID 167300671) is 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine.
What is the SMILES notation for 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine?
The canonical SMILES for 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine is Cn1ncc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc21.
What is the InChIKey of 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine?
The InChIKey is RJIBARLBUNJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-26-19-7-4-17(12-14(19)13-24-26)25-16-2-5-18(6-3-16)27-10-8-15(9-11-27)20(21,22)23/h2-7,12-13,15,25H,8-11H2,1H3.
What are the key properties of 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine?
1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine has a molecular weight of 374.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine is sourced from PubChem (CID 167300671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).