[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine

C26H27N7 — CID 135928480

IUPAC[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(CN)cc6)ccc45)nc23)CC1
InChIInChI=1S/C26H27N7/c1-32-11-13-33(14-12-32)23-4-2-3-21-25(23)29-26(28-21)24-20-10-9-19(15-22(20)30-31-24)18-7-5-17(16-27)6-8-18/h2-10,15H,11-14,16,27H2,1H3,(H,28,29)(H,30,31)
InChIKeySAKBODKHQMFEKY-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.98
Rot. Bonds4

About [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine

[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine (PubChem CID 135928480) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine
PubChem CID135928480
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(CN)cc6)ccc45)nc23)CC1
InChIInChI=1S/C26H27N7/c1-32-11-13-33(14-12-32)23-4-2-3-21-25(23)29-26(28-21)24-20-10-9-19(15-22(20)30-31-24)18-7-5-17(16-27)6-8-18/h2-10,15H,11-14,16,27H2,1H3,(H,28,29)(H,30,31)
InChIKeySAKBODKHQMFEKY-UHFFFAOYSA-N
XLogP3.98
TPSA89.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
CID 135566451
N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
CID 135928483
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 136509557
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136509551
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136509565
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137057441
4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942688
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137034076
2-cyclohexyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136943038
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
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
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137109496

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine?
The IUPAC name of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine (CID 135928480) is [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(CN)cc6)ccc45)nc23)CC1.
What is the InChIKey of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine?
The InChIKey is SAKBODKHQMFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-32-11-13-33(14-12-32)23-4-2-3-21-25(23)29-26(28-21)24-20-10-9-19(15-22(20)30-31-24)18-7-5-17(16-27)6-8-18/h2-10,15H,11-14,16,27H2,1H3,(H,28,29)(H,30,31).
What are the key properties of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine?
[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine has a molecular weight of 437.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanamine is sourced from PubChem (CID 135928480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).