[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone

C26H26N8O — CID 66599787

IUPAC[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone
SMILESCN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6cccnc65)c4)[nH]c3c2)CC1
InChIInChI=1S/C26H26N8O/c1-32(2)18-8-12-33(13-9-18)19-5-6-20-22(15-19)31-25(30-20)24(35)17-7-11-27-23(14-17)34-16-29-21-4-3-10-28-26(21)34/h3-7,10-11,14-16,18H,8-9,12-13H2,1-2H3,(H,30,31)
InChIKeyJAXKKINYQHLFJQ-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.45
Rot. Bonds5

About [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone (PubChem CID 66599787) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone
PubChem CID66599787
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone
SMILESCN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6cccnc65)c4)[nH]c3c2)CC1
InChIInChI=1S/C26H26N8O/c1-32(2)18-8-12-33(13-9-18)19-5-6-20-22(15-19)31-25(30-20)24(35)17-7-11-27-23(14-17)34-16-29-21-4-3-10-28-26(21)34/h3-7,10-11,14-16,18H,8-9,12-13H2,1-2H3,(H,30,31)
InChIKeyJAXKKINYQHLFJQ-UHFFFAOYSA-N
XLogP3.45
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone?
The IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone (CID 66599787) is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone.
What is the SMILES notation for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone?
The canonical SMILES for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone is CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6cccnc65)c4)[nH]c3c2)CC1.
What is the InChIKey of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone?
The InChIKey is JAXKKINYQHLFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-32(2)18-8-12-33(13-9-18)19-5-6-20-22(15-19)31-25(30-20)24(35)17-7-11-27-23(14-17)34-16-29-21-4-3-10-28-26(21)34/h3-7,10-11,14-16,18H,8-9,12-13H2,1-2H3,(H,30,31).
What are the key properties of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone?
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone has a molecular weight of 466.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-(2-imidazo[4,5-b]pyridin-3-yl-4-pyridinyl)methanone is sourced from PubChem (CID 66599787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).