3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide

C21H20F3N5O2 — CID 164617341

IUPAC3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3nn(C)c4cc(C(F)(F)F)ccc34)c2C)no1
InChIInChI=1S/C21H20F3N5O2/c1-10-7-16(28-31-10)12(3)26-20(30)18-11(2)15(9-25-18)19-14-6-5-13(21(22,23)24)8-17(14)29(4)27-19/h5-9,12,25H,1-4H3,(H,26,30)
InChIKeyRHKAWVXJTJWQMK-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.68
Rot. Bonds4

About 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide

3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 164617341) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID164617341
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3nn(C)c4cc(C(F)(F)F)ccc34)c2C)no1
InChIInChI=1S/C21H20F3N5O2/c1-10-7-16(28-31-10)12(3)26-20(30)18-11(2)15(9-25-18)19-14-6-5-13(21(22,23)24)8-17(14)29(4)27-19/h5-9,12,25H,1-4H3,(H,26,30)
InChIKeyRHKAWVXJTJWQMK-UHFFFAOYSA-N
XLogP4.68
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide (CID 164617341) is 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide is Cc1cc(C(C)NC(=O)c2[nH]cc(-c3nn(C)c4cc(C(F)(F)F)ccc34)c2C)no1.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is RHKAWVXJTJWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-10-7-16(28-31-10)12(3)26-20(30)18-11(2)15(9-25-18)19-14-6-5-13(21(22,23)24)8-17(14)29(4)27-19/h5-9,12,25H,1-4H3,(H,26,30).
What are the key properties of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164617341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).