2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide

C21H21F3N4O2 — CID 67290272

IUPAC2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
SMILESCn1ncc2ccc(C3CC3C(=O)NCCc3ccc(OCC(F)(F)F)nc3)cc21
InChIInChI=1S/C21H21F3N4O2/c1-28-18-8-14(3-4-15(18)11-27-28)16-9-17(16)20(29)25-7-6-13-2-5-19(26-10-13)30-12-21(22,23)24/h2-5,8,10-11,16-17H,6-7,9,12H2,1H3,(H,25,29)
InChIKeyGLRZVAWNSMVOPC-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.37
Rot. Bonds7

About 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide

2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 67290272) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
PubChem CID67290272
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
SMILESCn1ncc2ccc(C3CC3C(=O)NCCc3ccc(OCC(F)(F)F)nc3)cc21
InChIInChI=1S/C21H21F3N4O2/c1-28-18-8-14(3-4-15(18)11-27-28)16-9-17(16)20(29)25-7-6-13-2-5-19(26-10-13)30-12-21(22,23)24/h2-5,8,10-11,16-17H,6-7,9,12H2,1H3,(H,25,29)
InChIKeyGLRZVAWNSMVOPC-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide (CID 67290272) is 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide is Cn1ncc2ccc(C3CC3C(=O)NCCc3ccc(OCC(F)(F)F)nc3)cc21.
What is the InChIKey of 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is GLRZVAWNSMVOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-28-18-8-14(3-4-15(18)11-27-28)16-9-17(16)20(29)25-7-6-13-2-5-19(26-10-13)30-12-21(22,23)24/h2-5,8,10-11,16-17H,6-7,9,12H2,1H3,(H,25,29).
What are the key properties of 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-6-yl)-N-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67290272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).