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

C23H24FN5O3 — CID 75466021

IUPAC1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)c1
InChIInChI=1S/C23H24FN5O3/c1-32-17-5-2-4-16(13-17)27-8-10-28(11-9-27)23(31)15-12-20(30)29(14-15)22-21-18(24)6-3-7-19(21)25-26-22/h2-7,13,15H,8-12,14H2,1H3,(H,25,26)
InChIKeyCXZQOGMCXHJINE-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.41
Rot. Bonds4

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

1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 75466021) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID75466021
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)c1
InChIInChI=1S/C23H24FN5O3/c1-32-17-5-2-4-16(13-17)27-8-10-28(11-9-27)23(31)15-12-20(30)29(14-15)22-21-18(24)6-3-7-19(21)25-26-22/h2-7,13,15H,8-12,14H2,1H3,(H,25,26)
InChIKeyCXZQOGMCXHJINE-UHFFFAOYSA-N
XLogP2.41
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 75466021) is 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1cccc(N2CCN(C(=O)C3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)c1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CXZQOGMCXHJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-32-17-5-2-4-16(13-17)27-8-10-28(11-9-27)23(31)15-12-20(30)29(14-15)22-21-18(24)6-3-7-19(21)25-26-22/h2-7,13,15H,8-12,14H2,1H3,(H,25,26).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 75466021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).