methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium

C51H62N6O8S2 — CID 14058287

IUPACmethanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium
SMILESCOc1ccc2c(c1)c1c3c[n+](CCCN4CCC(C5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C.CS(=O)(=O)[O-].CS(=O)(=O)[O-]
InChIInChI=1S/C49H56N6O2.2CH4O3S/c1-50-44-12-8-38(56-3)30-40(44)48-42-32-54(26-18-36(42)6-10-46(48)50)21-5-20-52-22-14-34(15-23-52)35-16-24-53(25-17-35)28-29-55-27-19-37-7-11-47-49(43(37)33-55)41-31-39(57-4)9-13-45(41)51(47)2;2*1-5(2,3)4/h6-13,18-19,26-27,30-35H,5,14-17,20-25,28-29H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2
InChIKeyLTGHMQSRGJNBAT-UHFFFAOYSA-L
MW951.23 g/mol
LogP6.71
Rot. Bonds10

About methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium

methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium (PubChem CID 14058287) has the molecular formula C51H62N6O8S2 and a molecular weight of 951.23 g/mol. Its IUPAC name is methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium.

Molecular Properties

Compound Namemethanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium
PubChem CID14058287
Molecular FormulaC51H62N6O8S2
Molecular Weight951.23 g/mol
Exact Mass950.41
IUPAC Namemethanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium
SMILESCOc1ccc2c(c1)c1c3c[n+](CCCN4CCC(C5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C.CS(=O)(=O)[O-].CS(=O)(=O)[O-]
InChIInChI=1S/C49H56N6O2.2CH4O3S/c1-50-44-12-8-38(56-3)30-40(44)48-42-32-54(26-18-36(42)6-10-46(48)50)21-5-20-52-22-14-34(15-23-52)35-16-24-53(25-17-35)28-29-55-27-19-37-7-11-47-49(43(37)33-55)41-31-39(57-4)9-13-45(41)51(47)2;2*1-5(2,3)4/h6-13,18-19,26-27,30-35H,5,14-17,20-25,28-29H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2
InChIKeyLTGHMQSRGJNBAT-UHFFFAOYSA-L
XLogP6.71
TPSA156.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.23
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium?
The IUPAC name of methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium (CID 14058287) is methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium.
What is the SMILES notation for methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium?
The canonical SMILES for methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium is COc1ccc2c(c1)c1c3c[n+](CCCN4CCC(C5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C.CS(=O)(=O)[O-].CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium?
The InChIKey is LTGHMQSRGJNBAT-UHFFFAOYSA-L. The full InChI is InChI=1S/C49H56N6O2.2CH4O3S/c1-50-44-12-8-38(56-3)30-40(44)48-42-32-54(26-18-36(42)6-10-46(48)50)21-5-20-52-22-14-34(15-23-52)35-16-24-53(25-17-35)28-29-55-27-19-37-7-11-47-49(43(37)33-55)41-31-39(57-4)9-13-45(41)51(47)2;2*1-5(2,3)4/h6-13,18-19,26-27,30-35H,5,14-17,20-25,28-29H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2.
What are the key properties of methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium?
methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium has a molecular weight of 951.23 g/mol, XLogP of 6.71, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium is sourced from PubChem (CID 14058287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).