1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C30H28F2N8O4 — CID 118334447

IUPAC1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCCN1C(=O)C(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2cc(C)cc(F)c21
InChIInChI=1S/C30H28F2N8O4/c1-3-38-27-20(8-15(2)9-21(27)32)26(30(38)44)36-29(43)23-11-18(31)13-39(23)24(41)14-40-22-5-4-16(17-6-7-34-35-12-17)10-19(22)25(37-40)28(33)42/h4-10,12,18,23,26H,3,11,13-14H2,1-2H3,(H2,33,42)(H,36,43)
InChIKeyDPCJRVLWIPEXIS-UHFFFAOYSA-N
MW602.60 g/mol
LogP2.20
Rot. Bonds7

About 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334447) has the molecular formula C30H28F2N8O4 and a molecular weight of 602.60 g/mol. Its IUPAC name is 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334447
Molecular FormulaC30H28F2N8O4
Molecular Weight602.60 g/mol
Exact Mass602.22
IUPAC Name1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCCN1C(=O)C(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2cc(C)cc(F)c21
InChIInChI=1S/C30H28F2N8O4/c1-3-38-27-20(8-15(2)9-21(27)32)26(30(38)44)36-29(43)23-11-18(31)13-39(23)24(41)14-40-22-5-4-16(17-6-7-34-35-12-17)10-19(22)25(37-40)28(33)42/h4-10,12,18,23,26H,3,11,13-14H2,1-2H3,(H2,33,42)(H,36,43)
InChIKeyDPCJRVLWIPEXIS-UHFFFAOYSA-N
XLogP2.20
TPSA156.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.60
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334447) is 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is CCN1C(=O)C(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2cc(C)cc(F)c21.
What is the InChIKey of 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is DPCJRVLWIPEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N8O4/c1-3-38-27-20(8-15(2)9-21(27)32)26(30(38)44)36-29(43)23-11-18(31)13-39(23)24(41)14-40-22-5-4-16(17-6-7-34-35-12-17)10-19(22)25(37-40)28(33)42/h4-10,12,18,23,26H,3,11,13-14H2,1-2H3,(H2,33,42)(H,36,43).
What are the key properties of 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 602.60 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(1-ethyl-7-fluoro-5-methyl-2-oxo-3H-indol-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).