1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide

C31H28F2N6O4 — CID 134222498

IUPAC1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide
SMILESCc1c(C(C)NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4cccnc4)ccc32)oc2ccc(F)cc12
InChIInChI=1S/C31H28F2N6O4/c1-16-22-11-20(32)6-8-26(22)43-29(16)17(2)36-31(42)25-12-21(33)14-38(25)27(40)15-39-24-7-5-18(19-4-3-9-35-13-19)10-23(24)28(37-39)30(34)41/h3-11,13,17,21,25H,12,14-15H2,1-2H3,(H2,34,41)(H,36,42)
InChIKeyYXQIWNFTCQVLRH-UHFFFAOYSA-N
MW586.60 g/mol
LogP4.21
Rot. Bonds7

About 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide (PubChem CID 134222498) has the molecular formula C31H28F2N6O4 and a molecular weight of 586.60 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide
PubChem CID134222498
Molecular FormulaC31H28F2N6O4
Molecular Weight586.60 g/mol
Exact Mass586.21
IUPAC Name1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide
SMILESCc1c(C(C)NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4cccnc4)ccc32)oc2ccc(F)cc12
InChIInChI=1S/C31H28F2N6O4/c1-16-22-11-20(32)6-8-26(22)43-29(16)17(2)36-31(42)25-12-21(33)14-38(25)27(40)15-39-24-7-5-18(19-4-3-9-35-13-19)10-23(24)28(37-39)30(34)41/h3-11,13,17,21,25H,12,14-15H2,1-2H3,(H2,34,41)(H,36,42)
InChIKeyYXQIWNFTCQVLRH-UHFFFAOYSA-N
XLogP4.21
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-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-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide (CID 134222498) is 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide is Cc1c(C(C)NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4cccnc4)ccc32)oc2ccc(F)cc12.
What is the InChIKey of 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide?
The InChIKey is YXQIWNFTCQVLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O4/c1-16-22-11-20(32)6-8-26(22)43-29(16)17(2)36-31(42)25-12-21(33)14-38(25)27(40)15-39-24-7-5-18(19-4-3-9-35-13-19)10-23(24)28(37-39)30(34)41/h3-11,13,17,21,25H,12,14-15H2,1-2H3,(H2,34,41)(H,36,42).
What are the key properties of 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide has a molecular weight of 586.60 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide is sourced from PubChem (CID 134222498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).