N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

C21H20BrN7O2 — CID 163227977

IUPACN-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccc(Br)cc3[nH]2)[nH]n1)c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C21H20BrN7O2/c22-13-2-3-15-16(9-13)25-20(24-15)17-10-18(28-27-17)26-21(31)12-1-4-19(23-11-12)29-7-5-14(30)6-8-29/h1-4,9-11,14,30H,5-8H2,(H,24,25)(H2,26,27,28,31)
InChIKeyOLOGCSGYVWRPKV-UHFFFAOYSA-N
MW482.34 g/mol
LogP3.32
Rot. Bonds4

About N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide

N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 163227977) has the molecular formula C21H20BrN7O2 and a molecular weight of 482.34 g/mol. Its IUPAC name is N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
PubChem CID163227977
Molecular FormulaC21H20BrN7O2
Molecular Weight482.34 g/mol
Exact Mass481.09
IUPAC NameN-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccc(Br)cc3[nH]2)[nH]n1)c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C21H20BrN7O2/c22-13-2-3-15-16(9-13)25-20(24-15)17-10-18(28-27-17)26-21(31)12-1-4-19(23-11-12)29-7-5-14(30)6-8-29/h1-4,9-11,14,30H,5-8H2,(H,24,25)(H2,26,27,28,31)
InChIKeyOLOGCSGYVWRPKV-UHFFFAOYSA-N
XLogP3.32
TPSA122.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
CID 163228324
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 163228294
N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-1-ium-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227848
6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 163227921
1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-ol
CID 71078479
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]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 143254615
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide (CID 163227977) is N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is O=C(Nc1cc(-c2nc3ccc(Br)cc3[nH]2)[nH]n1)c1ccc(N2CCC(O)CC2)nc1.
What is the InChIKey of N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is OLOGCSGYVWRPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN7O2/c22-13-2-3-15-16(9-13)25-20(24-15)17-10-18(28-27-17)26-21(31)12-1-4-19(23-11-12)29-7-5-14(30)6-8-29/h1-4,9-11,14,30H,5-8H2,(H,24,25)(H2,26,27,28,31).
What are the key properties of N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 482.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163227977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).