5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide

C23H18F2N6O — CID 175464494

IUPAC5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
InChIInChI=1S/C23H18F2N6O/c1-3-27-23(32)16-10-26-9-15(11(16)2)12-4-5-18-14(6-12)20(31-30-18)22-28-19-8-13(24)7-17(25)21(19)29-22/h4-10H,3H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)
InChIKeyGUMDCHOHEFVCDP-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.50
Rot. Bonds4

About 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide

5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide (PubChem CID 175464494) has the molecular formula C23H18F2N6O and a molecular weight of 432.43 g/mol. Its IUPAC name is 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide
PubChem CID175464494
Molecular FormulaC23H18F2N6O
Molecular Weight432.43 g/mol
Exact Mass432.15
IUPAC Name5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
InChIInChI=1S/C23H18F2N6O/c1-3-27-23(32)16-10-26-9-15(11(16)2)12-4-5-18-14(6-12)20(31-30-18)22-28-19-8-13(24)7-17(25)21(19)29-22/h4-10H,3H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)
InChIKeyGUMDCHOHEFVCDP-UHFFFAOYSA-N
XLogP4.50
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
CID 175289704
7-(4-fluorophenyl)-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 136643021
N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide
CID 166866282
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509495
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137143092
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(4-hydroxybutyl)-4-phenyl-1H-imidazole-5-carboxamide
CID 135992201
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136937164
N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136947524
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019408
N-[5-[3-[7-[3-fluoro-5-[2-(methylamino)ethylamino]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137148333
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135987310
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 135524948

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide (CID 175464494) is 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide is CCNC(=O)c1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C.
What is the InChIKey of 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide?
The InChIKey is GUMDCHOHEFVCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O/c1-3-27-23(32)16-10-26-9-15(11(16)2)12-4-5-18-14(6-12)20(31-30-18)22-28-19-8-13(24)7-17(25)21(19)29-22/h4-10H,3H2,1-2H3,(H,27,32)(H,28,29)(H,30,31).
What are the key properties of 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide?
5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 175464494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).