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

C23H24F3N3O2 — CID 170958608

IUPACN-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine
SMILESCOC1CCN(C2COc3ccccc3C2Nc2cccc3[nH]c(C(F)(F)F)cc23)C1
InChIInChI=1S/C23H24F3N3O2/c1-30-14-9-10-29(12-14)19-13-31-20-8-3-2-5-15(20)22(19)28-18-7-4-6-17-16(18)11-21(27-17)23(24,25)26/h2-8,11,14,19,22,27-28H,9-10,12-13H2,1H3
InChIKeyQPDZHUYJWFGJJB-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.82
Rot. Bonds4

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

N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine (PubChem CID 170958608) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine.

Molecular Properties

Compound NameN-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine
PubChem CID170958608
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine
SMILESCOC1CCN(C2COc3ccccc3C2Nc2cccc3[nH]c(C(F)(F)F)cc23)C1
InChIInChI=1S/C23H24F3N3O2/c1-30-14-9-10-29(12-14)19-13-31-20-8-3-2-5-15(20)22(19)28-18-7-4-6-17-16(18)11-21(27-17)23(24,25)26/h2-8,11,14,19,22,27-28H,9-10,12-13H2,1H3
InChIKeyQPDZHUYJWFGJJB-UHFFFAOYSA-N
XLogP4.82
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-1H-indol-4-amine?
The IUPAC name of N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine (CID 170958608) is N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine.
What is the SMILES notation for N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine?
The canonical SMILES for N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine is COC1CCN(C2COc3ccccc3C2Nc2cccc3[nH]c(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)-1H-indol-4-amine?
The InChIKey is QPDZHUYJWFGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-30-14-9-10-29(12-14)19-13-31-20-8-3-2-5-15(20)22(19)28-18-7-4-6-17-16(18)11-21(27-17)23(24,25)26/h2-8,11,14,19,22,27-28H,9-10,12-13H2,1H3.
What are the key properties of N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine?
N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine has a molecular weight of 431.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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)-1H-indol-4-amine is sourced from PubChem (CID 170958608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).