N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane

C21H25F3N4 — CID 143370588

IUPACN-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.Cc1cccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H22N4.C2H3F3/c1-14-4-2-6-18(10-14)23-9-3-5-17(13-23)21-16-7-8-19-15(11-16)12-20-22-19;1-2(3,4)5/h2,4,6-8,10-12,17,21H,3,5,9,13H2,1H3,(H,20,22);1H3
InChIKeyHKODDTKRKHLOCD-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.52
Rot. Bonds3

About N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane

N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane (PubChem CID 143370588) has the molecular formula C21H25F3N4 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane
PubChem CID143370588
Molecular FormulaC21H25F3N4
Molecular Weight390.45 g/mol
Exact Mass390.20
IUPAC NameN-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.Cc1cccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H22N4.C2H3F3/c1-14-4-2-6-18(10-14)23-9-3-5-17(13-23)21-16-7-8-19-15(11-16)12-20-22-19;1-2(3,4)5/h2,4,6-8,10-12,17,21H,3,5,9,13H2,1H3,(H,20,22);1H3
InChIKeyHKODDTKRKHLOCD-UHFFFAOYSA-N
XLogP5.52
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine
CID 143370615
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 143370599
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137369806
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane?
The IUPAC name of N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane (CID 143370588) is N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane.
What is the SMILES notation for N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane?
The canonical SMILES for N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane is CC(F)(F)F.Cc1cccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane?
The InChIKey is HKODDTKRKHLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.C2H3F3/c1-14-4-2-6-18(10-14)23-9-3-5-17(13-23)21-16-7-8-19-15(11-16)12-20-22-19;1-2(3,4)5/h2,4,6-8,10-12,17,21H,3,5,9,13H2,1H3,(H,20,22);1H3.
What are the key properties of N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane?
N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane has a molecular weight of 390.45 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane is sourced from PubChem (CID 143370588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).