N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide

C26H23FN6O3 — CID 165385010

IUPACN-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)cnc1-c1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C26H23FN6O3/c1-4-36-22-10-18(12-30-24(22)15-7-8-21(27)19(9-15)25(34)29-2)26(35)33(3)14-17-6-5-16(11-28)20-13-31-32-23(17)20/h5-10,12-13H,4,14H2,1-3H3,(H,29,34)(H,31,32)
InChIKeyIEYOROKAMNMUAM-UHFFFAOYSA-N
MW486.51 g/mol
LogP3.67
Rot. Bonds7

About N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide

N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide (PubChem CID 165385010) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide
PubChem CID165385010
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC NameN-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)cnc1-c1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C26H23FN6O3/c1-4-36-22-10-18(12-30-24(22)15-7-8-21(27)19(9-15)25(34)29-2)26(35)33(3)14-17-6-5-16(11-28)20-13-31-32-23(17)20/h5-10,12-13H,4,14H2,1-3H3,(H,29,34)(H,31,32)
InChIKeyIEYOROKAMNMUAM-UHFFFAOYSA-N
XLogP3.67
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-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 N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide (CID 165385010) is N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide is CCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)cnc1-c1ccc(F)c(C(=O)NC)c1.
What is the InChIKey of N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is IEYOROKAMNMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-4-36-22-10-18(12-30-24(22)15-7-8-21(27)19(9-15)25(34)29-2)26(35)33(3)14-17-6-5-16(11-28)20-13-31-32-23(17)20/h5-10,12-13H,4,14H2,1-3H3,(H,29,34)(H,31,32).
What are the key properties of N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide?
N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 165385010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).