N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine

C22H23F3N4O2 — CID 170958746

IUPACN-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine
SMILESCOC1CCN(C2COc3ccccc3C2Nc2cccc3nn(C(F)(F)F)cc23)C1
InChIInChI=1S/C22H23F3N4O2/c1-30-14-9-10-28(11-14)19-13-31-20-8-3-2-5-15(20)21(19)26-17-6-4-7-18-16(17)12-29(27-18)22(23,24)25/h2-8,12,14,19,21,26H,9-11,13H2,1H3
InChIKeyGFRYMESGQCYWHO-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.15
Rot. Bonds4

About N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine

N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine (PubChem CID 170958746) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine.

Molecular Properties

Compound NameN-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine
PubChem CID170958746
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine
SMILESCOC1CCN(C2COc3ccccc3C2Nc2cccc3nn(C(F)(F)F)cc23)C1
InChIInChI=1S/C22H23F3N4O2/c1-30-14-9-10-28(11-14)19-13-31-20-8-3-2-5-15(20)21(19)26-17-6-4-7-18-16(17)12-29(27-18)22(23,24)25/h2-8,12,14,19,21,26H,9-11,13H2,1H3
InChIKeyGFRYMESGQCYWHO-UHFFFAOYSA-N
XLogP4.15
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine?
The IUPAC name of N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine (CID 170958746) is N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine.
What is the SMILES notation for N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine?
The canonical SMILES for N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine is COC1CCN(C2COc3ccccc3C2Nc2cccc3nn(C(F)(F)F)cc23)C1.
What is the InChIKey of N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine?
The InChIKey is GFRYMESGQCYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-30-14-9-10-28(11-14)19-13-31-20-8-3-2-5-15(20)21(19)26-17-6-4-7-18-16(17)12-29(27-18)22(23,24)25/h2-8,12,14,19,21,26H,9-11,13H2,1H3.
What are the key properties of N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine?
N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine has a molecular weight of 432.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine is sourced from PubChem (CID 170958746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).