tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate

C37H49BrCs4N4O15 — CID 159792807

IUPACtetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate
SMILESBrCC1CC1.COc1c[nH]c(CO)cc1=O.COc1cnc(CO)cc1OCC1CC1.COc1cnc(CO)cc1[O-].COc1cnc(CO)cc1[O-].O=CO[O-].[Cs+].[Cs+].[Cs+].[Cs+].[H-]
InChIInChI=1S/C11H15NO3.3C7H9NO3.C4H7Br.CH2O3.4Cs.H/c1-14-11-5-12-9(6-13)4-10(11)15-7-8-2-3-8;3*1-11-7-3-8-5(4-9)2-6(7)10;5-3-4-1-2-4;2-1-4-3;;;;;/h4-5,8,13H,2-3,6-7H2,1H3;3*2-3,9H,4H2,1H3,(H,8,10);4H,1-3H2;1,3H;;;;;/q;;;;;;4*+1;-1/p-3
InChIKeyJWLDJTHNZONRPO-UHFFFAOYSA-K
MW1401.34 g/mol
LogP-11.09
Rot. Bonds13

About tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate

tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate (PubChem CID 159792807) has the molecular formula C37H49BrCs4N4O15 and a molecular weight of 1401.34 g/mol. Its IUPAC name is tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate.

Molecular Properties

Compound Nametetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate
PubChem CID159792807
Molecular FormulaC37H49BrCs4N4O15
Molecular Weight1401.34 g/mol
Exact Mass1399.86
IUPAC Nametetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate
SMILESBrCC1CC1.COc1c[nH]c(CO)cc1=O.COc1cnc(CO)cc1OCC1CC1.COc1cnc(CO)cc1[O-].COc1cnc(CO)cc1[O-].O=CO[O-].[Cs+].[Cs+].[Cs+].[Cs+].[H-]
InChIInChI=1S/C11H15NO3.3C7H9NO3.C4H7Br.CH2O3.4Cs.H/c1-14-11-5-12-9(6-13)4-10(11)15-7-8-2-3-8;3*1-11-7-3-8-5(4-9)2-6(7)10;5-3-4-1-2-4;2-1-4-3;;;;;/h4-5,8,13H,2-3,6-7H2,1H3;3*2-3,9H,4H2,1H3,(H,8,10);4H,1-3H2;1,3H;;;;;/q;;;;;;4*+1;-1/p-3
InChIKeyJWLDJTHNZONRPO-UHFFFAOYSA-K
XLogP-11.09
TPSA294.08 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.34
LogP ≤ 5-11.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol
CID 157148379
4,5-dimethoxypyridine-2-carbaldehyde;(E)-4-(4,5-dimethoxy-2-pyridinyl)but-3-en-2-one;2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one
CID 54233233
dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate
CID 159895059
[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite
CID 67235250
4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide
CID 144634893
N-cyclopentyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063866
2-bromo-5-(cyclopropylmethoxy)-3-methoxypyridine
CID 90315250
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063845
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one
CID 140824907
[5-(cyclopropylmethoxy)pyrazin-2-yl]methanol
CID 107373161
1-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-one
CID 117498472
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459

Frequently Asked Questions

What is the IUPAC name of tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate?
The IUPAC name of tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate (CID 159792807) is tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate.
What is the SMILES notation for tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate?
The canonical SMILES for tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate is BrCC1CC1.COc1c[nH]c(CO)cc1=O.COc1cnc(CO)cc1OCC1CC1.COc1cnc(CO)cc1[O-].COc1cnc(CO)cc1[O-].O=CO[O-].[Cs+].[Cs+].[Cs+].[Cs+].[H-].
What is the InChIKey of tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate?
The InChIKey is JWLDJTHNZONRPO-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H15NO3.3C7H9NO3.C4H7Br.CH2O3.4Cs.H/c1-14-11-5-12-9(6-13)4-10(11)15-7-8-2-3-8;3*1-11-7-3-8-5(4-9)2-6(7)10;5-3-4-1-2-4;2-1-4-3;;;;;/h4-5,8,13H,2-3,6-7H2,1H3;3*2-3,9H,4H2,1H3,(H,8,10);4H,1-3H2;1,3H;;;;;/q;;;;;;4*+1;-1/p-3.
What are the key properties of tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate?
tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate has a molecular weight of 1401.34 g/mol, XLogP of -11.09, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate is sourced from PubChem (CID 159792807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).