6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide

C26H25F3N4O2 — CID 59762288

IUPAC6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccc(C(F)(F)F)nc3)c(C(C)C)n(Cc3ccccn3)c2c1
InChIInChI=1S/C26H25F3N4O2/c1-16(2)24-23(25(34)32-14-17-7-10-22(31-13-17)26(27,28)29)20-9-8-19(35-3)12-21(20)33(24)15-18-6-4-5-11-30-18/h4-13,16H,14-15H2,1-3H3,(H,32,34)
InChIKeyCRZOJSRVIURKKS-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.56
Rot. Bonds7

About 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide

6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide (PubChem CID 59762288) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
PubChem CID59762288
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccc(C(F)(F)F)nc3)c(C(C)C)n(Cc3ccccn3)c2c1
InChIInChI=1S/C26H25F3N4O2/c1-16(2)24-23(25(34)32-14-17-7-10-22(31-13-17)26(27,28)29)20-9-8-19(35-3)12-21(20)33(24)15-18-6-4-5-11-30-18/h4-13,16H,14-15H2,1-3H3,(H,32,34)
InChIKeyCRZOJSRVIURKKS-UHFFFAOYSA-N
XLogP5.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
The IUPAC name of 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide (CID 59762288) is 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
The canonical SMILES for 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide is COc1ccc2c(C(=O)NCc3ccc(C(F)(F)F)nc3)c(C(C)C)n(Cc3ccccn3)c2c1.
What is the InChIKey of 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
The InChIKey is CRZOJSRVIURKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-16(2)24-23(25(34)32-14-17-7-10-22(31-13-17)26(27,28)29)20-9-8-19(35-3)12-21(20)33(24)15-18-6-4-5-11-30-18/h4-13,16H,14-15H2,1-3H3,(H,32,34).
What are the key properties of 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 59762288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).