1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C30H26F2N8O4 — CID 138525616

IUPAC1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cc(N3CC4CC4C3=O)ccc2F)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C30H26F2N8O4/c31-18-9-25(29(43)36-23-10-19(2-3-22(23)32)38-12-17-8-20(17)30(38)44)39(13-18)26(41)14-40-24-4-1-15(16-5-6-34-35-11-16)7-21(24)27(37-40)28(33)42/h1-7,10-11,17-18,20,25H,8-9,12-14H2,(H2,33,42)(H,36,43)
InChIKeyLYADVVPYIFXYHP-UHFFFAOYSA-N
MW600.59 g/mol
LogP2.29
Rot. Bonds7

About 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 138525616) has the molecular formula C30H26F2N8O4 and a molecular weight of 600.59 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID138525616
Molecular FormulaC30H26F2N8O4
Molecular Weight600.59 g/mol
Exact Mass600.20
IUPAC Name1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cc(N3CC4CC4C3=O)ccc2F)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C30H26F2N8O4/c31-18-9-25(29(43)36-23-10-19(2-3-22(23)32)38-12-17-8-20(17)30(38)44)39(13-18)26(41)14-40-24-4-1-15(16-5-6-34-35-11-16)7-21(24)27(37-40)28(33)42/h1-7,10-11,17-18,20,25H,8-9,12-14H2,(H2,33,42)(H,36,43)
InChIKeyLYADVVPYIFXYHP-UHFFFAOYSA-N
XLogP2.29
TPSA156.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.59
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-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

Related Compounds

1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 126643410
1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123183892
1-[2-[4-fluoro-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 136999825
1-[2-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334483
1-[2-[(2S,4R)-2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323753
1-[2-[4-fluoro-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334437
1-[2-[2-[[5-[chloro(difluoro)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334414
1-[2-[2-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334347
1-[2-[4-fluoro-2-[(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 136999820
1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334445
1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334420
1-[2-[4-fluoro-2-[(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 144912327

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 138525616) is 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cc(N3CC4CC4C3=O)ccc2F)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is LYADVVPYIFXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N8O4/c31-18-9-25(29(43)36-23-10-19(2-3-22(23)32)38-12-17-8-20(17)30(38)44)39(13-18)26(41)14-40-24-4-1-15(16-5-6-34-35-11-16)7-21(24)27(37-40)28(33)42/h1-7,10-11,17-18,20,25H,8-9,12-14H2,(H2,33,42)(H,36,43).
What are the key properties of 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 600.59 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[[2-fluoro-5-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 138525616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).