N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

C26H30N6O3 — CID 139447850

IUPACN-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3nc4cc(C5CCOCC5)ccc4n3CC(C)(C)O)ccn2)cn1
InChIInChI=1S/C26H30N6O3/c1-26(2,34)16-32-23-5-4-18(17-7-10-35-11-8-17)12-22(23)29-25(32)30-24(33)19-6-9-27-21(13-19)20-14-28-31(3)15-20/h4-6,9,12-15,17,34H,7-8,10-11,16H2,1-3H3,(H,29,30,33)
InChIKeyDKBSAEQBSOVUDI-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 139447850) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID139447850
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3nc4cc(C5CCOCC5)ccc4n3CC(C)(C)O)ccn2)cn1
InChIInChI=1S/C26H30N6O3/c1-26(2,34)16-32-23-5-4-18(17-7-10-35-11-8-17)12-22(23)29-25(32)30-24(33)19-6-9-27-21(13-19)20-14-28-31(3)15-20/h4-6,9,12-15,17,34H,7-8,10-11,16H2,1-3H3,(H,29,30,33)
InChIKeyDKBSAEQBSOVUDI-UHFFFAOYSA-N
XLogP3.75
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139448021
N-[5-(1-acetylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 139448026
N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 139447725
N-[5-(1-acetylpiperidin-3-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447643
N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447719
N-[1-(2-hydroxy-2-methylpropyl)-5-(4-methoxybutyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 158164099
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447737
2-(2-formyl-3-hydroxyphenoxy)-N-[1-(2-hydroxy-2-methylpropyl)-6-morpholin-4-ylbenzimidazol-2-yl]pyridine-4-carboxamide
CID 170267322
N-[1-(2-hydroxy-2-methylpropyl)-2-[[5-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-2-yl]carbamoylamino]benzimidazol-5-yl]-N,3,3-trimethylbutanamide
CID 71259580
2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
CID 118144211
N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689334
2-(2-formyl-3-hydroxyphenoxy)-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 170171494

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (CID 139447850) is N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)Nc3nc4cc(C5CCOCC5)ccc4n3CC(C)(C)O)ccn2)cn1.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is DKBSAEQBSOVUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-26(2,34)16-32-23-5-4-18(17-7-10-35-11-8-17)12-22(23)29-25(32)30-24(33)19-6-9-27-21(13-19)20-14-28-31(3)15-20/h4-6,9,12-15,17,34H,7-8,10-11,16H2,1-3H3,(H,29,30,33).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 139447850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).