1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C22H24N4O4 — CID 70731529

IUPAC1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1CC(=O)N(c3cccc(O)c3)C1)nn2C
InChIInChI=1S/C22H24N4O4/c1-13(2)30-18-9-5-8-17-20(18)21(24-25(17)3)23-22(29)14-10-19(28)26(12-14)15-6-4-7-16(27)11-15/h4-9,11,13-14,27H,10,12H2,1-3H3,(H,23,24,29)
InChIKeyWJYFJYGTJUFOHR-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.06
Rot. Bonds5

About 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 70731529) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID70731529
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1CC(=O)N(c3cccc(O)c3)C1)nn2C
InChIInChI=1S/C22H24N4O4/c1-13(2)30-18-9-5-8-17-20(18)21(24-25(17)3)23-22(29)14-10-19(28)26(12-14)15-6-4-7-16(27)11-15/h4-9,11,13-14,27H,10,12H2,1-3H3,(H,23,24,29)
InChIKeyWJYFJYGTJUFOHR-UHFFFAOYSA-N
XLogP3.06
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113189061
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
1-(3-bromophenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 42953340
(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184576
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190599
N-(3-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791012
methyl 3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189320
(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 70731529) is 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)C1CC(=O)N(c3cccc(O)c3)C1)nn2C.
What is the InChIKey of 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WJYFJYGTJUFOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13(2)30-18-9-5-8-17-20(18)21(24-25(17)3)23-22(29)14-10-19(28)26(12-14)15-6-4-7-16(27)11-15/h4-9,11,13-14,27H,10,12H2,1-3H3,(H,23,24,29).
What are the key properties of 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70731529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).