acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))

C58H70Mn4N20O4+2 — CID 162272796

IUPACacetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))
SMILESCC(=O)O.CC(=O)O.Cn1ccnc1CN(Cc1cc(CN(Cc2nccn2C)Cc2nccn2C)[n-]n1)Cc1nccn1C.[Mn+2].[Mn+2].[Mn].[Mn].c1ccc(CN(Cc2ccccn2)Cc2cc(CN(Cc3ccccn3)Cc3ccccn3)[n-]n2)nc1
InChIInChI=1S/C29H29N8.C25H33N12.2C2H4O2.4Mn/c1-5-13-30-24(9-1)18-36(19-25-10-2-6-14-31-25)22-28-17-29(35-34-28)23-37(20-26-11-3-7-15-32-26)21-27-12-4-8-16-33-27;1-32-9-5-26-22(32)16-36(17-23-27-6-10-33(23)2)14-20-13-21(31-30-20)15-37(18-24-28-7-11-34(24)3)19-25-29-8-12-35(25)4;2*1-2(3)4;;;;/h1-17H,18-23H2;5-13H,14-19H2,1-4H3;2*1H3,(H,3,4);;;;/q2*-1;;;;;2*+2
InChIKeyWOUYWPTVRUKEIQ-UHFFFAOYSA-N
MW1331.09 g/mol
LogP5.57
Rot. Bonds24

About acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))

acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)) (PubChem CID 162272796) has the molecular formula C58H70Mn4N20O4+2 and a molecular weight of 1331.09 g/mol. Its IUPAC name is acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)).

Molecular Properties

Compound Nameacetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))
PubChem CID162272796
Molecular FormulaC58H70Mn4N20O4+2
Molecular Weight1331.09 g/mol
Exact Mass1330.34
IUPAC Nameacetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))
SMILESCC(=O)O.CC(=O)O.Cn1ccnc1CN(Cc1cc(CN(Cc2nccn2C)Cc2nccn2C)[n-]n1)Cc1nccn1C.[Mn+2].[Mn+2].[Mn].[Mn].c1ccc(CN(Cc2ccccn2)Cc2cc(CN(Cc3ccccn3)Cc3ccccn3)[n-]n2)nc1
InChIInChI=1S/C29H29N8.C25H33N12.2C2H4O2.4Mn/c1-5-13-30-24(9-1)18-36(19-25-10-2-6-14-31-25)22-28-17-29(35-34-28)23-37(20-26-11-3-7-15-32-26)21-27-12-4-8-16-33-27;1-32-9-5-26-22(32)16-36(17-23-27-6-10-33(23)2)14-20-13-21(31-30-20)15-37(18-24-28-7-11-34(24)3)19-25-29-8-12-35(25)4;2*1-2(3)4;;;;/h1-17H,18-23H2;5-13H,14-19H2,1-4H3;2*1H3,(H,3,4);;;;/q2*-1;;;;;2*+2
InChIKeyWOUYWPTVRUKEIQ-UHFFFAOYSA-N
XLogP5.57
TPSA264.38 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.09
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))?
The IUPAC name of acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)) (CID 162272796) is acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)).
What is the SMILES notation for acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))?
The canonical SMILES for acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)) is CC(=O)O.CC(=O)O.Cn1ccnc1CN(Cc1cc(CN(Cc2nccn2C)Cc2nccn2C)[n-]n1)Cc1nccn1C.[Mn+2].[Mn+2].[Mn].[Mn].c1ccc(CN(Cc2ccccn2)Cc2cc(CN(Cc3ccccn3)Cc3ccccn3)[n-]n2)nc1.
What is the InChIKey of acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))?
The InChIKey is WOUYWPTVRUKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N8.C25H33N12.2C2H4O2.4Mn/c1-5-13-30-24(9-1)18-36(19-25-10-2-6-14-31-25)22-28-17-29(35-34-28)23-37(20-26-11-3-7-15-32-26)21-27-12-4-8-16-33-27;1-32-9-5-26-22(32)16-36(17-23-27-6-10-33(23)2)14-20-13-21(31-30-20)15-37(18-24-28-7-11-34(24)3)19-25-29-8-12-35(25)4;2*1-2(3)4;;;;/h1-17H,18-23H2;5-13H,14-19H2,1-4H3;2*1H3,(H,3,4);;;;/q2*-1;;;;;2*+2.
What are the key properties of acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+))?
acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)) has a molecular weight of 1331.09 g/mol, XLogP of 5.57, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazol-1-id-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazol-1-id-5-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;manganese;bis(manganese(2+)) is sourced from PubChem (CID 162272796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).