deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride

C52H66ClF4N9O2 — CID 159720135

IUPACdeuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride
SMILESC.CCN(CC)CC.COc1ccc2nc3cc(-c4ccc(F)nc4)ccn3c2c1.COc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1.Cl.FC1CCNCC1.[2H]CF
InChIInChI=1S/C22H21FN4O.C17H12FN3O.C6H15N.C5H10FN.CH3F.CH4.ClH/c1-28-18-3-4-19-20(13-18)27-11-6-15(12-22(27)25-19)16-2-5-21(24-14-16)26-9-7-17(23)8-10-26;1-22-13-3-4-14-15(9-13)21-7-6-11(8-17(21)20-14)12-2-5-16(18)19-10-12;1-4-7(5-2)6-3;6-5-1-3-7-4-2-5;1-2;;/h2-6,11-14,17H,7-10H2,1H3;2-10H,1H3;4-6H2,1-3H3;5,7H,1-4H2;1H3;1H4;1H/i;;;;1D;;
InChIKeyDUCCMHCDVJPUPX-VOEPQHRLSA-N
MW961.61 g/mol
LogP11.89
Rot. Bonds8

About deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride

deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride (PubChem CID 159720135) has the molecular formula C52H66ClF4N9O2 and a molecular weight of 961.61 g/mol. Its IUPAC name is deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride.

Molecular Properties

Compound Namedeuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride
PubChem CID159720135
Molecular FormulaC52H66ClF4N9O2
Molecular Weight961.61 g/mol
Exact Mass960.50
IUPAC Namedeuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride
SMILESC.CCN(CC)CC.COc1ccc2nc3cc(-c4ccc(F)nc4)ccn3c2c1.COc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1.Cl.FC1CCNCC1.[2H]CF
InChIInChI=1S/C22H21FN4O.C17H12FN3O.C6H15N.C5H10FN.CH3F.CH4.ClH/c1-28-18-3-4-19-20(13-18)27-11-6-15(12-22(27)25-19)16-2-5-21(24-14-16)26-9-7-17(23)8-10-26;1-22-13-3-4-14-15(9-13)21-7-6-11(8-17(21)20-14)12-2-5-16(18)19-10-12;1-4-7(5-2)6-3;6-5-1-3-7-4-2-5;1-2;;/h2-6,11-14,17H,7-10H2,1H3;2-10H,1H3;4-6H2,1-3H3;5,7H,1-4H2;1H3;1H4;1H/i;;;;1D;;
InChIKeyDUCCMHCDVJPUPX-VOEPQHRLSA-N
XLogP11.89
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.61
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride 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

Raf265
CID 11656518
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
CID 10452995
1-Piperazineacetamide, 4-ethyl-N-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]amino]-1-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]-
CID 11387552
N'-[[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11706779
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288
1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 16064449
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064891
N-(5-tert-butyl-2-fluorophenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064892
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-(5-methyl-1H-imidazol-2-yl)pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064893
6-Fluoro-8-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630071

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride?
The IUPAC name of deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride (CID 159720135) is deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride.
What is the SMILES notation for deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride?
The canonical SMILES for deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride is C.CCN(CC)CC.COc1ccc2nc3cc(-c4ccc(F)nc4)ccn3c2c1.COc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1.Cl.FC1CCNCC1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride?
The InChIKey is DUCCMHCDVJPUPX-VOEPQHRLSA-N. The full InChI is InChI=1S/C22H21FN4O.C17H12FN3O.C6H15N.C5H10FN.CH3F.CH4.ClH/c1-28-18-3-4-19-20(13-18)27-11-6-15(12-22(27)25-19)16-2-5-21(24-14-16)26-9-7-17(23)8-10-26;1-22-13-3-4-14-15(9-13)21-7-6-11(8-17(21)20-14)12-2-5-16(18)19-10-12;1-4-7(5-2)6-3;6-5-1-3-7-4-2-5;1-2;;/h2-6,11-14,17H,7-10H2,1H3;2-10H,1H3;4-6H2,1-3H3;5,7H,1-4H2;1H3;1H4;1H/i;;;;1D;;.
What are the key properties of deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride?
deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride has a molecular weight of 961.61 g/mol, XLogP of 11.89, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;N,N-diethylethanamine;4-fluoropiperidine;3-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]-8-methoxypyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)-8-methoxypyrido[1,2-a]benzimidazole;methane;hydrochloride is sourced from PubChem (CID 159720135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).