N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide

C25H28N8O2 — CID 163227961

IUPACN-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1nc(N2CCN(C3COC3)CC2)ccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)n(C)n1
InChIInChI=1S/C25H28N8O2/c1-16-18(7-8-23(26-16)33-11-9-32(10-12-33)17-14-35-15-17)25(34)29-22-13-21(31(2)30-22)24-27-19-5-3-4-6-20(19)28-24/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,27,28)(H,29,30,34)
InChIKeyWFLDJRGKSZSLGN-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.44
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 163227961) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID163227961
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1nc(N2CCN(C3COC3)CC2)ccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)n(C)n1
InChIInChI=1S/C25H28N8O2/c1-16-18(7-8-23(26-16)33-11-9-32(10-12-33)17-14-35-15-17)25(34)29-22-13-21(31(2)30-22)24-27-19-5-3-4-6-20(19)28-24/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,27,28)(H,29,30,34)
InChIKeyWFLDJRGKSZSLGN-UHFFFAOYSA-N
XLogP2.44
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 163227912
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)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
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)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 163227860
N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 135453096
1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 166190915
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
3-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123872023
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 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) is N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide is Cc1nc(N2CCN(C3COC3)CC2)ccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)n(C)n1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is WFLDJRGKSZSLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-16-18(7-8-23(26-16)33-11-9-32(10-12-33)17-14-35-15-17)25(34)29-22-13-21(31(2)30-22)24-27-19-5-3-4-6-20(19)28-24/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,27,28)(H,29,30,34).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163227961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).