4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide

C21H14F2N6O — CID 155128869

IUPAC4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5ccccn5)c4c3)c(F)cc21
InChIInChI=1S/C21H14F2N6O/c1-29-17-9-14(22)18(19(23)13(17)10-25-29)21(30)26-11-5-6-15-12(8-11)20(28-27-15)16-4-2-3-7-24-16/h2-10H,1H3,(H,26,30)(H,27,28)
InChIKeySPZYBPXWFFCHHJ-UHFFFAOYSA-N
MW404.38 g/mol
LogP4.04
Rot. Bonds3

About 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide

4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide (PubChem CID 155128869) has the molecular formula C21H14F2N6O and a molecular weight of 404.38 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
PubChem CID155128869
Molecular FormulaC21H14F2N6O
Molecular Weight404.38 g/mol
Exact Mass404.12
IUPAC Name4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5ccccn5)c4c3)c(F)cc21
InChIInChI=1S/C21H14F2N6O/c1-29-17-9-14(22)18(19(23)13(17)10-25-29)21(30)26-11-5-6-15-12(8-11)20(28-27-15)16-4-2-3-7-24-16/h2-10H,1H3,(H,26,30)(H,27,28)
InChIKeySPZYBPXWFFCHHJ-UHFFFAOYSA-N
XLogP4.04
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-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 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide (CID 155128869) is 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5ccccn5)c4c3)c(F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide?
The InChIKey is SPZYBPXWFFCHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O/c1-29-17-9-14(22)18(19(23)13(17)10-25-29)21(30)26-11-5-6-15-12(8-11)20(28-27-15)16-4-2-3-7-24-16/h2-10H,1H3,(H,26,30)(H,27,28).
What are the key properties of 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide?
4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide has a molecular weight of 404.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide is sourced from PubChem (CID 155128869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).