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

C20H18F3N5O2 — CID 164615818

IUPAC3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3c[nH]c4nc(C(F)(F)F)ccc34)c2C)no1
InChIInChI=1S/C20H18F3N5O2/c1-9-6-15(28-30-9)11(3)26-19(29)17-10(2)13(7-24-17)14-8-25-18-12(14)4-5-16(27-18)20(21,22)23/h4-8,11,24H,1-3H3,(H,25,27)(H,26,29)
InChIKeyVLSAAMDHXUYKFG-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.67
Rot. Bonds4

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

3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 164615818) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID164615818
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3c[nH]c4nc(C(F)(F)F)ccc34)c2C)no1
InChIInChI=1S/C20H18F3N5O2/c1-9-6-15(28-30-9)11(3)26-19(29)17-10(2)13(7-24-17)14-8-25-18-12(14)4-5-16(27-18)20(21,22)23/h4-8,11,24H,1-3H3,(H,25,27)(H,26,29)
InChIKeyVLSAAMDHXUYKFG-UHFFFAOYSA-N
XLogP4.67
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (CID 164615818) is 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-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-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is Cc1cc(C(C)NC(=O)c2[nH]cc(-c3c[nH]c4nc(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-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is VLSAAMDHXUYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-9-6-15(28-30-9)11(3)26-19(29)17-10(2)13(7-24-17)14-8-25-18-12(14)4-5-16(27-18)20(21,22)23/h4-8,11,24H,1-3H3,(H,25,27)(H,26,29).
What are the key properties of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164615818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).