1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C34H28F2N8O3 — CID 118334524

IUPAC1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1ccc2[nH]c(-c3ccc(F)c(NC(=O)C4CC(F)CN4C(=O)Cn4nc(C(N)=O)c5cc(-c6ccnnc6)ccc54)c3)cc2c1
InChIInChI=1S/C34H28F2N8O3/c1-18-2-6-26-22(10-18)13-27(40-26)20-3-5-25(36)28(12-20)41-34(47)30-14-23(35)16-43(30)31(45)17-44-29-7-4-19(21-8-9-38-39-15-21)11-24(29)32(42-44)33(37)46/h2-13,15,23,30,40H,14,16-17H2,1H3,(H2,37,46)(H,41,47)
InChIKeyWGWQGXHTFSUAGB-UHFFFAOYSA-N
MW634.65 g/mol
LogP4.77
Rot. Bonds7

About 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334524) has the molecular formula C34H28F2N8O3 and a molecular weight of 634.65 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-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-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334524
Molecular FormulaC34H28F2N8O3
Molecular Weight634.65 g/mol
Exact Mass634.23
IUPAC Name1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1ccc2[nH]c(-c3ccc(F)c(NC(=O)C4CC(F)CN4C(=O)Cn4nc(C(N)=O)c5cc(-c6ccnnc6)ccc54)c3)cc2c1
InChIInChI=1S/C34H28F2N8O3/c1-18-2-6-26-22(10-18)13-27(40-26)20-3-5-25(36)28(12-20)41-34(47)30-14-23(35)16-43(30)31(45)17-44-29-7-4-19(21-8-9-38-39-15-21)11-24(29)32(42-44)33(37)46/h2-13,15,23,30,40H,14,16-17H2,1H3,(H2,37,46)(H,41,47)
InChIKeyWGWQGXHTFSUAGB-UHFFFAOYSA-N
XLogP4.77
TPSA151.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.65
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-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-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-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-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334524) is 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-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-(5-methyl-1H-indol-2-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-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1ccc2[nH]c(-c3ccc(F)c(NC(=O)C4CC(F)CN4C(=O)Cn4nc(C(N)=O)c5cc(-c6ccnnc6)ccc54)c3)cc2c1.
What is the InChIKey of 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is WGWQGXHTFSUAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F2N8O3/c1-18-2-6-26-22(10-18)13-27(40-26)20-3-5-25(36)28(12-20)41-34(47)30-14-23(35)16-43(30)31(45)17-44-29-7-4-19(21-8-9-38-39-15-21)11-24(29)32(42-44)33(37)46/h2-13,15,23,30,40H,14,16-17H2,1H3,(H2,37,46)(H,41,47).
What are the key properties of 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 634.65 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[[2-fluoro-5-(5-methyl-1H-indol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).