2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide

C24H20F2N6O3 — CID 139413846

IUPAC2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCCC2=O)n1
InChIInChI=1S/C24H20F2N6O3/c1-31-21-13(12-28-31)22(32-10-4-7-19(32)33)17(11-15(21)26)30-24(34)16-8-9-27-23(29-16)20-14(25)5-3-6-18(20)35-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,30,34)
InChIKeyDDGWMAHDXLFVED-UHFFFAOYSA-N
MW478.46 g/mol
LogP3.70
Rot. Bonds5

About 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide

2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide (PubChem CID 139413846) has the molecular formula C24H20F2N6O3 and a molecular weight of 478.46 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide
PubChem CID139413846
Molecular FormulaC24H20F2N6O3
Molecular Weight478.46 g/mol
Exact Mass478.16
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCCC2=O)n1
InChIInChI=1S/C24H20F2N6O3/c1-31-21-13(12-28-31)22(32-10-4-7-19(32)33)17(11-15(21)26)30-24(34)16-8-9-27-23(29-16)20-14(25)5-3-6-18(20)35-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,30,34)
InChIKeyDDGWMAHDXLFVED-UHFFFAOYSA-N
XLogP3.70
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-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 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide (CID 139413846) is 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCCC2=O)n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide?
The InChIKey is DDGWMAHDXLFVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O3/c1-31-21-13(12-28-31)22(32-10-4-7-19(32)33)17(11-15(21)26)30-24(34)16-8-9-27-23(29-16)20-14(25)5-3-6-18(20)35-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,30,34).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide has a molecular weight of 478.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-oxopyrrolidin-1-yl)indazol-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139413846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).