1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C23H25N5O3 — CID 75465534

IUPAC1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)c1
InChIInChI=1S/C23H25N5O3/c1-31-18-6-4-5-17(14-18)26-9-11-27(12-10-26)23(30)16-13-21(29)28(15-16)22-19-7-2-3-8-20(19)24-25-22/h2-8,14,16H,9-13,15H2,1H3,(H,24,25)
InChIKeyPUYQUXAFSMMHJE-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.27
Rot. Bonds4

About 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 75465534) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID75465534
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)c1
InChIInChI=1S/C23H25N5O3/c1-31-18-6-4-5-17(14-18)26-9-11-27(12-10-26)23(30)16-13-21(29)28(15-16)22-19-7-2-3-8-20(19)24-25-22/h2-8,14,16H,9-13,15H2,1H3,(H,24,25)
InChIKeyPUYQUXAFSMMHJE-UHFFFAOYSA-N
XLogP2.27
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25344342
4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90506720
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-(3-methoxyphenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 42946859
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332539
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(4S)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746625
(4R)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746626
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
tert-butyl 4-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 42651559

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 75465534) is 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1cccc(N2CCN(C(=O)C3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)c1.
What is the InChIKey of 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PUYQUXAFSMMHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-31-18-6-4-5-17(14-18)26-9-11-27(12-10-26)23(30)16-13-21(29)28(15-16)22-19-7-2-3-8-20(19)24-25-22/h2-8,14,16H,9-13,15H2,1H3,(H,24,25).
What are the key properties of 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 419.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 75465534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).