1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C29H27FN8O4 — CID 118323683

IUPAC1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCCN1Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cc2C1=O
InChIInChI=1S/C29H27FN8O4/c1-2-36-13-18-3-5-20(11-21(18)29(36)42)34-28(41)24-10-19(30)14-37(24)25(39)15-38-23-6-4-16(17-7-8-32-33-12-17)9-22(23)26(35-38)27(31)40/h3-9,11-12,19,24H,2,10,13-15H2,1H3,(H2,31,40)(H,34,41)/t19-,24+/m1/s1
InChIKeyLLTGCHLKDXDRGR-DVECYGJZSA-N
MW570.59 g/mol
LogP2.15
Rot. Bonds7

About 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118323683) has the molecular formula C29H27FN8O4 and a molecular weight of 570.59 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118323683
Molecular FormulaC29H27FN8O4
Molecular Weight570.59 g/mol
Exact Mass570.21
IUPAC Name1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCCN1Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cc2C1=O
InChIInChI=1S/C29H27FN8O4/c1-2-36-13-18-3-5-20(11-21(18)29(36)42)34-28(41)24-10-19(30)14-37(24)25(39)15-38-23-6-4-16(17-7-8-32-33-12-17)9-22(23)26(35-38)27(31)40/h3-9,11-12,19,24H,2,10,13-15H2,1H3,(H2,31,40)(H,34,41)/t19-,24+/m1/s1
InChIKeyLLTGCHLKDXDRGR-DVECYGJZSA-N
XLogP2.15
TPSA156.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.59
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118323683) is 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is CCN1Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cc2C1=O.
What is the InChIKey of 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is LLTGCHLKDXDRGR-DVECYGJZSA-N. The full InChI is InChI=1S/C29H27FN8O4/c1-2-36-13-18-3-5-20(11-21(18)29(36)42)34-28(41)24-10-19(30)14-37(24)25(39)15-38-23-6-4-16(17-7-8-32-33-12-17)9-22(23)26(35-38)27(31)40/h3-9,11-12,19,24H,2,10,13-15H2,1H3,(H2,31,40)(H,34,41)/t19-,24+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 570.59 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118323683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).