1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide

C33H32F2N6O4 — CID 123422511

IUPAC1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2CC(F)CC2C(=O)NC2CCCN(c3cc(C)ccc3F)C2=O)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C33H32F2N6O4/c1-19-5-7-26(35)29(12-19)40-11-3-4-27(33(40)45)38-32(44)30-14-23(34)16-41(30)31(43)18-39-17-25(20(2)42)24-13-21(6-8-28(24)39)22-9-10-36-37-15-22/h5-10,12-13,15,17,23,27,30H,3-4,11,14,16,18H2,1-2H3,(H,38,44)
InChIKeyFXDUTDMEBFWTCZ-UHFFFAOYSA-N
MW614.65 g/mol
LogP4.00
Rot. Bonds7

About 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide

1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 123422511) has the molecular formula C33H32F2N6O4 and a molecular weight of 614.65 g/mol. Its IUPAC name is 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID123422511
Molecular FormulaC33H32F2N6O4
Molecular Weight614.65 g/mol
Exact Mass614.25
IUPAC Name1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2CC(F)CC2C(=O)NC2CCCN(c3cc(C)ccc3F)C2=O)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C33H32F2N6O4/c1-19-5-7-26(35)29(12-19)40-11-3-4-27(33(40)45)38-32(44)30-14-23(34)16-41(30)31(43)18-39-17-25(20(2)42)24-13-21(6-8-28(24)39)22-9-10-36-37-15-22/h5-10,12-13,15,17,23,27,30H,3-4,11,14,16,18H2,1-2H3,(H,38,44)
InChIKeyFXDUTDMEBFWTCZ-UHFFFAOYSA-N
XLogP4.00
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[4-(4-Butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetic acid
CID 66575818
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507812
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507824
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
1-(4-fluoro-1H-indol-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506361
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-methyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide (CID 123422511) is 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide is CC(=O)c1cn(CC(=O)N2CC(F)CC2C(=O)NC2CCCN(c3cc(C)ccc3F)C2=O)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is FXDUTDMEBFWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N6O4/c1-19-5-7-26(35)29(12-19)40-11-3-4-27(33(40)45)38-32(44)30-14-23(34)16-41(30)31(43)18-39-17-25(20(2)42)24-13-21(6-8-28(24)39)22-9-10-36-37-15-22/h5-10,12-13,15,17,23,27,30H,3-4,11,14,16,18H2,1-2H3,(H,38,44).
What are the key properties of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide?
1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 614.65 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123422511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).