4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide

C19H21F3N4O3 — CID 57378934

IUPAC4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C19H21F3N4O3/c1-11(2)8-15(18(28)23-16-6-7-25(3)24-16)26-14-5-4-13(29-19(20,21)22)9-12(14)10-17(26)27/h4-7,9,11,15H,8,10H2,1-3H3,(H,23,24,28)
InChIKeyMKCREGBLWLUXQW-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.26
Rot. Bonds6

About 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide

4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide (PubChem CID 57378934) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide
PubChem CID57378934
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C19H21F3N4O3/c1-11(2)8-15(18(28)23-16-6-7-25(3)24-16)26-14-5-4-13(29-19(20,21)22)9-12(14)10-17(26)27/h4-7,9,11,15H,8,10H2,1-3H3,(H,23,24,28)
InChIKeyMKCREGBLWLUXQW-UHFFFAOYSA-N
XLogP3.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide?
The IUPAC name of 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide (CID 57378934) is 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide?
The canonical SMILES for 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide is CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide?
The InChIKey is MKCREGBLWLUXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-11(2)8-15(18(28)23-16-6-7-25(3)24-16)26-14-5-4-13(29-19(20,21)22)9-12(14)10-17(26)27/h4-7,9,11,15H,8,10H2,1-3H3,(H,23,24,28).
What are the key properties of 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide?
4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide has a molecular weight of 410.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]pentanamide is sourced from PubChem (CID 57378934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).