N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide

C22H23N7O2 — CID 163228294

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C22H23N7O2/c30-13-14-4-3-9-29(12-14)20-8-7-15(11-23-20)22(31)26-19-10-18(27-28-19)21-24-16-5-1-2-6-17(16)25-21/h1-2,5-8,10-11,14,30H,3-4,9,12-13H2,(H,24,25)(H2,26,27,28,31)
InChIKeyTUMPDCLADILAHD-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.81
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 163228294) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID163228294
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C22H23N7O2/c30-13-14-4-3-9-29(12-14)20-8-7-15(11-23-20)22(31)26-19-10-18(27-28-19)21-24-16-5-1-2-6-17(16)25-21/h1-2,5-8,10-11,14,30H,3-4,9,12-13H2,(H,24,25)(H2,26,27,28,31)
InChIKeyTUMPDCLADILAHD-UHFFFAOYSA-N
XLogP2.81
TPSA122.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.81
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-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227977
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 163227860
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]-4-(dimethylamino)benzamide
CID 155701119
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 163227912
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 43590323
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 163228294) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide is O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CCCC(CO)C2)nc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is TUMPDCLADILAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c30-13-14-4-3-9-29(12-14)20-8-7-15(11-23-20)22(31)26-19-10-18(27-28-19)21-24-16-5-1-2-6-17(16)25-21/h1-2,5-8,10-11,14,30H,3-4,9,12-13H2,(H,24,25)(H2,26,27,28,31).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163228294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).