4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole

C26H32N8O — CID 137109029

IUPAC4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)nc23)CC1
InChIInChI=1S/C26H32N8O/c1-32-9-11-34(12-10-32)24-6-4-5-21-25(24)29-26(28-21)23-16-22(30-31-23)19-15-20(18-27-17-19)35-14-13-33-7-2-3-8-33/h4-6,15-18H,2-3,7-14H2,1H3,(H,28,29)(H,30,31)
InChIKeyWMUAPPNMWFUGMJ-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.24
Rot. Bonds7

About 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole

4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 137109029) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID137109029
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)nc23)CC1
InChIInChI=1S/C26H32N8O/c1-32-9-11-34(12-10-32)24-6-4-5-21-25(24)29-26(28-21)23-16-22(30-31-23)19-15-20(18-27-17-19)35-14-13-33-7-2-3-8-33/h4-6,15-18H,2-3,7-14H2,1H3,(H,28,29)(H,30,31)
InChIKeyWMUAPPNMWFUGMJ-UHFFFAOYSA-N
XLogP3.24
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
CID 137040605
3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 162057990
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
CID 137114557
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 136509557
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109131
4-[2-[4-[2-(3-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]aniline
CID 91466379
4-[2-[4-[2-(3-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]aniline
CID 91341455
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352
2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137040058
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137312299
3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113629
7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine
CID 136501886

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole (CID 137109029) is 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole is CN1CCN(c2cccc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)nc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is WMUAPPNMWFUGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-32-9-11-34(12-10-32)24-6-4-5-21-25(24)29-26(28-21)23-16-22(30-31-23)19-15-20(18-27-17-19)35-14-13-33-7-2-3-8-33/h4-6,15-18H,2-3,7-14H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 472.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 137109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).