N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide

C23H24FN7O2 — CID 163228419

IUPACN-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide
SMILESCOC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5c(F)cccc5[nH]4)n(C)n3)cn2)CC1
InChIInChI=1S/C23H24FN7O2/c1-30-18(22-26-17-5-3-4-16(24)21(17)28-22)12-19(29-30)27-23(32)14-6-7-20(25-13-14)31-10-8-15(33-2)9-11-31/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)(H,27,29,32)
InChIKeyPERQQURVAJFLSP-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.37
Rot. Bonds5

About N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide

N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 163228419) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide
PubChem CID163228419
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC NameN-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide
SMILESCOC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5c(F)cccc5[nH]4)n(C)n3)cn2)CC1
InChIInChI=1S/C23H24FN7O2/c1-30-18(22-26-17-5-3-4-16(24)21(17)28-22)12-19(29-30)27-23(32)14-6-7-20(25-13-14)31-10-8-15(33-2)9-11-31/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)(H,27,29,32)
InChIKeyPERQQURVAJFLSP-UHFFFAOYSA-N
XLogP3.37
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 163228049
N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 163228362
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 163227912
N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 135453096
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133330872
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 163227961
N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227977
N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-1-ium-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227848
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 163228294
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 143254615
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide (CID 163228419) is N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide is COC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5c(F)cccc5[nH]4)n(C)n3)cn2)CC1.
What is the InChIKey of N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is PERQQURVAJFLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-30-18(22-26-17-5-3-4-16(24)21(17)28-22)12-19(29-30)27-23(32)14-6-7-20(25-13-14)31-10-8-15(33-2)9-11-31/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)(H,27,29,32).
What are the key properties of N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide?
N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163228419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).