N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C21H19ClF3N3O2 — CID 171518718

IUPACN-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCc4cccc(C(F)(F)F)n4)cc3[nH]2)CC1
InChIInChI=1S/C21H19ClF3N3O2/c1-20(5-6-20)19(29)26-10-14-7-12-8-15(22)17(9-16(12)27-14)30-11-13-3-2-4-18(28-13)21(23,24)25/h2-4,7-9,27H,5-6,10-11H2,1H3,(H,26,29)
InChIKeyQHICRYMIZHONSZ-UHFFFAOYSA-N
MW437.85 g/mol
LogP5.23
Rot. Bonds6

About N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518718) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518718
Molecular FormulaC21H19ClF3N3O2
Molecular Weight437.85 g/mol
Exact Mass437.11
IUPAC NameN-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCc4cccc(C(F)(F)F)n4)cc3[nH]2)CC1
InChIInChI=1S/C21H19ClF3N3O2/c1-20(5-6-20)19(29)26-10-14-7-12-8-15(22)17(9-16(12)27-14)30-11-13-3-2-4-18(28-13)21(23,24)25/h2-4,7-9,27H,5-6,10-11H2,1H3,(H,26,29)
InChIKeyQHICRYMIZHONSZ-UHFFFAOYSA-N
XLogP5.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.85
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171518718) is N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(Cl)c(OCc4cccc(C(F)(F)F)n4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is QHICRYMIZHONSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c1-20(5-6-20)19(29)26-10-14-7-12-8-15(22)17(9-16(12)27-14)30-11-13-3-2-4-18(28-13)21(23,24)25/h2-4,7-9,27H,5-6,10-11H2,1H3,(H,26,29).
What are the key properties of N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 437.85 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).