1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C28H24FN11O3S — CID 137434869

IUPAC1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1[nH]c2nccn2c1-c1csc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1
InChIInChI=1S/C28H24FN11O3S/c1-14-24(38-7-6-31-27(38)34-14)19-13-44-28(35-19)36-26(43)21-9-17(29)11-39(21)22(41)12-40-20-3-2-15(16-4-5-32-33-10-16)8-18(20)23(37-40)25(30)42/h2-8,10,13,17,21H,9,11-12H2,1H3,(H2,30,42)(H,31,34)(H,35,36,43)
InChIKeyNZSYPYYUABUWPX-UHFFFAOYSA-N
MW613.64 g/mol
LogP2.58
Rot. Bonds7

About 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 137434869) has the molecular formula C28H24FN11O3S and a molecular weight of 613.64 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID137434869
Molecular FormulaC28H24FN11O3S
Molecular Weight613.64 g/mol
Exact Mass613.18
IUPAC Name1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1[nH]c2nccn2c1-c1csc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1
InChIInChI=1S/C28H24FN11O3S/c1-14-24(38-7-6-31-27(38)34-14)19-13-44-28(35-19)36-26(43)21-9-17(29)11-39(21)22(41)12-40-20-3-2-15(16-4-5-32-33-10-16)8-18(20)23(37-40)25(30)42/h2-8,10,13,17,21H,9,11-12H2,1H3,(H2,30,42)(H,31,34)(H,35,36,43)
InChIKeyNZSYPYYUABUWPX-UHFFFAOYSA-N
XLogP2.58
TPSA182.08 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.64
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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Related Compounds

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
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-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123183892
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)-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-[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-[(4R)-2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 146238513
1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323787
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoropyrrolidine-2-carboxamide
CID 126643122
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-[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-[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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 137434869) is 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1[nH]c2nccn2c1-c1csc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1.
What is the InChIKey of 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is NZSYPYYUABUWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN11O3S/c1-14-24(38-7-6-31-27(38)34-14)19-13-44-28(35-19)36-26(43)21-9-17(29)11-39(21)22(41)12-40-20-3-2-15(16-4-5-32-33-10-16)8-18(20)23(37-40)25(30)42/h2-8,10,13,17,21H,9,11-12H2,1H3,(H2,30,42)(H,31,34)(H,35,36,43).
What are the key properties of 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 613.64 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 137434869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).