5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C21H17F3N4O2 — CID 10764263

IUPAC5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2
InChIInChI=1S/C21H17F3N4O2/c1-30-19-9-14-4-7-28(18(14)10-17(19)21(22,23)24)20(29)27-16-8-15(11-26-12-16)13-2-5-25-6-3-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,29)
InChIKeyUIOUZAKDFIQYKJ-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.77
Rot. Bonds3

About 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10764263) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10764263
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2
InChIInChI=1S/C21H17F3N4O2/c1-30-19-9-14-4-7-28(18(14)10-17(19)21(22,23)24)20(29)27-16-8-15(11-26-12-16)13-2-5-25-6-3-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,29)
InChIKeyUIOUZAKDFIQYKJ-UHFFFAOYSA-N
XLogP4.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10764263) is 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2.
What is the InChIKey of 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is UIOUZAKDFIQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-30-19-9-14-4-7-28(18(14)10-17(19)21(22,23)24)20(29)27-16-8-15(11-26-12-16)13-2-5-25-6-3-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10764263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).