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

C21H17F3N4O3 — CID 10526616

IUPAC5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2
InChIInChI=1S/C21H17F3N4O3/c1-30-18-9-13-6-8-28(17(13)10-16(18)21(22,23)24)20(29)27-14-4-5-19(26-11-14)31-15-3-2-7-25-12-15/h2-5,7,9-12H,6,8H2,1H3,(H,27,29)
InChIKeyGYCWCSSBHBSLLK-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.89
Rot. Bonds4

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

5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10526616) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10526616
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2
InChIInChI=1S/C21H17F3N4O3/c1-30-18-9-13-6-8-28(17(13)10-16(18)21(22,23)24)20(29)27-14-4-5-19(26-11-14)31-15-3-2-7-25-12-15/h2-5,7,9-12H,6,8H2,1H3,(H,27,29)
InChIKeyGYCWCSSBHBSLLK-UHFFFAOYSA-N
XLogP4.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10526616) is 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2.
What is the InChIKey of 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is GYCWCSSBHBSLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-30-18-9-13-6-8-28(17(13)10-16(18)21(22,23)24)20(29)27-14-4-5-19(26-11-14)31-15-3-2-7-25-12-15/h2-5,7,9-12H,6,8H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(6-pyridin-3-yloxy-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10526616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).