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

C29H29FN8O4 — CID 123277116

IUPAC1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2CC(F)CC2C(=O)NC2CCN(c3ccn(C)n3)C2=O)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C29H29FN8O4/c1-17(39)22-15-36(24-4-3-18(11-21(22)24)19-5-8-31-32-13-19)16-27(40)38-14-20(30)12-25(38)28(41)33-23-6-10-37(29(23)42)26-7-9-35(2)34-26/h3-5,7-9,11,13,15,20,23,25H,6,10,12,14,16H2,1-2H3,(H,33,41)
InChIKeyRLLJEQAWCCTGQK-UHFFFAOYSA-N
MW572.60 g/mol
LogP1.90
Rot. Bonds7

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

1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 123277116) has the molecular formula C29H29FN8O4 and a molecular weight of 572.60 g/mol. Its IUPAC name is 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID123277116
Molecular FormulaC29H29FN8O4
Molecular Weight572.60 g/mol
Exact Mass572.23
IUPAC Name1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1cn(CC(=O)N2CC(F)CC2C(=O)NC2CCN(c3ccn(C)n3)C2=O)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C29H29FN8O4/c1-17(39)22-15-36(24-4-3-18(11-21(22)24)19-5-8-31-32-13-19)16-27(40)38-14-20(30)12-25(38)28(41)33-23-6-10-37(29(23)42)26-7-9-35(2)34-26/h3-5,7-9,11,13,15,20,23,25H,6,10,12,14,16H2,1-2H3,(H,33,41)
InChIKeyRLLJEQAWCCTGQK-UHFFFAOYSA-N
XLogP1.90
TPSA135.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.60
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-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

1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
Ripk1-IN-19
CID 168007916
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-N-(2-ethylpyrazol-3-yl)-4-fluoro-1H-indole-7-carboxamide
CID 507917
N-(6-(4-Butanoyl-5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl)-5-chloro-1-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-1H-indole-3-carboxamide
CID 66575899
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-(2-oxo-2-piperazin-1-ylethyl)indole-3-carboxamide
CID 66576450
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)indole-3-carboxamide
CID 66576610
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 70922234
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671006
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 162752451
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 164627789
1-Methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(1-phenylethyl)indole-3-carboxamide
CID 165437244
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 123277116) is 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-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-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is CC(=O)c1cn(CC(=O)N2CC(F)CC2C(=O)NC2CCN(c3ccn(C)n3)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-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is RLLJEQAWCCTGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN8O4/c1-17(39)22-15-36(24-4-3-18(11-21(22)24)19-5-8-31-32-13-19)16-27(40)38-14-20(30)12-25(38)28(41)33-23-6-10-37(29(23)42)26-7-9-35(2)34-26/h3-5,7-9,11,13,15,20,23,25H,6,10,12,14,16H2,1-2H3,(H,33,41).
What are the key properties of 1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 572.60 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123277116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).