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

C22H22FN7O3 — CID 163228049

IUPACN-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(F)c2nc(-c3cc(NC(=O)c4ccc(N5CC(OC)C5)nc4)nn3C)[nH]c2c1
InChIInChI=1S/C22H22FN7O3/c1-29-17(21-25-16-7-13(32-2)6-15(23)20(16)27-21)8-18(28-29)26-22(31)12-4-5-19(24-9-12)30-10-14(11-30)33-3/h4-9,14H,10-11H2,1-3H3,(H,25,27)(H,26,28,31)
InChIKeySVEBEEQTPJEPDM-UHFFFAOYSA-N
MW451.46 g/mol
LogP2.59
Rot. Bonds6

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

N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide (PubChem CID 163228049) has the molecular formula C22H22FN7O3 and a molecular weight of 451.46 g/mol. Its IUPAC name is N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
PubChem CID163228049
Molecular FormulaC22H22FN7O3
Molecular Weight451.46 g/mol
Exact Mass451.18
IUPAC NameN-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(F)c2nc(-c3cc(NC(=O)c4ccc(N5CC(OC)C5)nc4)nn3C)[nH]c2c1
InChIInChI=1S/C22H22FN7O3/c1-29-17(21-25-16-7-13(32-2)6-15(23)20(16)27-21)8-18(28-29)26-22(31)12-4-5-19(24-9-12)30-10-14(11-30)33-3/h4-9,14H,10-11H2,1-3H3,(H,25,27)(H,26,28,31)
InChIKeySVEBEEQTPJEPDM-UHFFFAOYSA-N
XLogP2.59
TPSA110.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide
CID 163228419
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 163227912
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 135453096
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56755893
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 146153254
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide (CID 163228049) is N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide is COc1cc(F)c2nc(-c3cc(NC(=O)c4ccc(N5CC(OC)C5)nc4)nn3C)[nH]c2c1.
What is the InChIKey of N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide?
The InChIKey is SVEBEEQTPJEPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O3/c1-29-17(21-25-16-7-13(32-2)6-15(23)20(16)27-21)8-18(28-29)26-22(31)12-4-5-19(24-9-12)30-10-14(11-30)33-3/h4-9,14H,10-11H2,1-3H3,(H,25,27)(H,26,28,31).
What are the key properties of N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide?
N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163228049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).