dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate

C49H55ClCs2N12O9 — CID 161022363

IUPACdicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate
SMILESCC1(C)OC(=O)c2c1ccnc2Cl.C[C@@H]1CC[C@@H](N)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C24H26N6O3.C15H19N5O.C9H8ClNO2.CH2O3.2Cs.H/c1-15-8-9-16(28-21-20-18(10-11-25-21)24(2,3)33-23(20)32)14-29(15)22(31)17-6-4-5-7-19(17)30-26-12-13-27-30;1-11-6-7-12(16)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;1-9(2)5-3-4-11-7(10)6(5)8(12)13-9;2-1-4-3;;;/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,25,28);2-5,8-9,11-12H,6-7,10,16H2,1H3;3-4H,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1/t15-,16-;11-,12-;;;;;/m11...../s1
InChIKeyMPCJFMNTWPYFLJ-OYXVXBIGSA-M
MW1257.32 g/mol
LogP-0.91
Rot. Bonds7

About dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate

dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate (PubChem CID 161022363) has the molecular formula C49H55ClCs2N12O9 and a molecular weight of 1257.32 g/mol. Its IUPAC name is dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate.

Molecular Properties

Compound Namedicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate
PubChem CID161022363
Molecular FormulaC49H55ClCs2N12O9
Molecular Weight1257.32 g/mol
Exact Mass1256.20
IUPAC Namedicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate
SMILESCC1(C)OC(=O)c2c1ccnc2Cl.C[C@@H]1CC[C@@H](N)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C24H26N6O3.C15H19N5O.C9H8ClNO2.CH2O3.2Cs.H/c1-15-8-9-16(28-21-20-18(10-11-25-21)24(2,3)33-23(20)32)14-29(15)22(31)17-6-4-5-7-19(17)30-26-12-13-27-30;1-11-6-7-12(16)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;1-9(2)5-3-4-11-7(10)6(5)8(12)13-9;2-1-4-3;;;/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,25,28);2-5,8-9,11-12H,6-7,10,16H2,1H3;3-4H,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1/t15-,16-;11-,12-;;;;;/m11...../s1
InChIKeyMPCJFMNTWPYFLJ-OYXVXBIGSA-M
XLogP-0.91
TPSA267.83 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate with MolForge

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

Launch Full Analysis

Related Compounds

US9556190, Example 40
CID 118175274
US9556190, Example 39
CID 118192293
(1S)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 118175284
(1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 118192306
1-methyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 123519133
4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 123533666
1,1-Dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
CID 123586705
1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 144871974
1,1-Dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane
CID 144872009
dicesium;benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-5-[(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)amino]-2-methylpiperidine-1-carboxylate;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methylpiperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate;2-(tetrazol-2-yl)benzoic acid
CID 158038148
dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1H-furo[3,4-c]pyridin-3-one;4-fluoro-1H-furo[3,4-c]pyridin-3-one;fluoromethane;hydride;4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one;oxido formate
CID 158117990
1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
CID 158195020

Frequently Asked Questions

What is the IUPAC name of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate?
The IUPAC name of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate (CID 161022363) is dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate.
What is the SMILES notation for dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate?
The canonical SMILES for dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate is CC1(C)OC(=O)c2c1ccnc2Cl.C[C@@H]1CC[C@@H](N)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1.O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate?
The InChIKey is MPCJFMNTWPYFLJ-OYXVXBIGSA-M. The full InChI is InChI=1S/C24H26N6O3.C15H19N5O.C9H8ClNO2.CH2O3.2Cs.H/c1-15-8-9-16(28-21-20-18(10-11-25-21)24(2,3)33-23(20)32)14-29(15)22(31)17-6-4-5-7-19(17)30-26-12-13-27-30;1-11-6-7-12(16)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;1-9(2)5-3-4-11-7(10)6(5)8(12)13-9;2-1-4-3;;;/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,25,28);2-5,8-9,11-12H,6-7,10,16H2,1H3;3-4H,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1/t15-,16-;11-,12-;;;;;/m11...../s1.
What are the key properties of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate?
dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate has a molecular weight of 1257.32 g/mol, XLogP of -0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate is sourced from PubChem (CID 161022363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).