N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine

C68H82Cl3F6N19O6S — CID 167635204

IUPACN-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(C)N2)c(F)c1.COC(C)(C)N(C)C.[H]/N=C(\C)N(CCNc1ccc(CNC(=O)c2c(CC)nc3ccc(Cl)cn23)cc1F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C22H23ClF4N6O3S.C21H22ClFN6O.C19H22ClFN6O.C6H15NO/c1-3-17-20(32-12-15(23)5-7-19(32)31-17)21(34)30-11-14-4-6-18(16(24)10-14)29-8-9-33(13(2)28)37(35,36)22(25,26)27;1-3-17-20(28-12-15(22)5-7-19(28)26-17)21(30)25-11-14-4-6-18(16(23)10-14)29-9-8-24-13(2)27-29;1-2-15-18(26-11-13(20)4-6-17(26)25-15)19(28)24-10-12-3-5-16(14(21)9-12)27(23)8-7-22;1-6(2,8-5)7(3)4/h4-7,10,12,28-29H,3,8-9,11H2,1-2H3,(H,30,34);4-7,10,12H,3,8-9,11H2,1-2H3,(H,24,27)(H,25,30);3-6,9,11H,2,7-8,10,22-23H2,1H3,(H,24,28);1-5H3/b28-13+;;;
InChIKeyOJLWMVKKGZMKDG-JXXZSDTGSA-N
MW1513.94 g/mol
LogP10.73
Rot. Bonds23

About N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine

N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine (PubChem CID 167635204) has the molecular formula C68H82Cl3F6N19O6S and a molecular weight of 1513.94 g/mol. Its IUPAC name is N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine
PubChem CID167635204
Molecular FormulaC68H82Cl3F6N19O6S
Molecular Weight1513.94 g/mol
Exact Mass1511.54
IUPAC NameN-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(C)N2)c(F)c1.COC(C)(C)N(C)C.[H]/N=C(\C)N(CCNc1ccc(CNC(=O)c2c(CC)nc3ccc(Cl)cn23)cc1F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C22H23ClF4N6O3S.C21H22ClFN6O.C19H22ClFN6O.C6H15NO/c1-3-17-20(32-12-15(23)5-7-19(32)31-17)21(34)30-11-14-4-6-18(16(24)10-14)29-8-9-33(13(2)28)37(35,36)22(25,26)27;1-3-17-20(28-12-15(22)5-7-19(28)26-17)21(30)25-11-14-4-6-18(16(23)10-14)29-9-8-24-13(2)27-29;1-2-15-18(26-11-13(20)4-6-17(26)25-15)19(28)24-10-12-3-5-16(14(21)9-12)27(23)8-7-22;1-6(2,8-5)7(3)4/h4-7,10,12,28-29H,3,8-9,11H2,1-2H3,(H,30,34);4-7,10,12H,3,8-9,11H2,1-2H3,(H,24,27)(H,25,30);3-6,9,11H,2,7-8,10,22-23H2,1H3,(H,24,28);1-5H3/b28-13+;;;
InChIKeyOJLWMVKKGZMKDG-JXXZSDTGSA-N
XLogP10.73
TPSA307.84 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.94
LogP ≤ 510.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126398
2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum
CID 165126536
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
6-chloro-2-ethyl-N-[[3-fluoro-4-[(3S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163202133
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 165413743
[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 156649130
6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202192
6-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201979
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442204
N-[[4-[2-aminoethyl-(methylideneamino)amino]-3-fluorophenyl]methyl]-11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide
CID 165126402
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880

Frequently Asked Questions

What is the IUPAC name of N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine?
The IUPAC name of N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine (CID 167635204) is N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine.
What is the SMILES notation for N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine?
The canonical SMILES for N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(C)N2)c(F)c1.COC(C)(C)N(C)C.[H]/N=C(\C)N(CCNc1ccc(CNC(=O)c2c(CC)nc3ccc(Cl)cn23)cc1F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine?
The InChIKey is OJLWMVKKGZMKDG-JXXZSDTGSA-N. The full InChI is InChI=1S/C22H23ClF4N6O3S.C21H22ClFN6O.C19H22ClFN6O.C6H15NO/c1-3-17-20(32-12-15(23)5-7-19(32)31-17)21(34)30-11-14-4-6-18(16(24)10-14)29-8-9-33(13(2)28)37(35,36)22(25,26)27;1-3-17-20(28-12-15(22)5-7-19(28)26-17)21(30)25-11-14-4-6-18(16(23)10-14)29-9-8-24-13(2)27-29;1-2-15-18(26-11-13(20)4-6-17(26)25-15)19(28)24-10-12-3-5-16(14(21)9-12)27(23)8-7-22;1-6(2,8-5)7(3)4/h4-7,10,12,28-29H,3,8-9,11H2,1-2H3,(H,30,34);4-7,10,12H,3,8-9,11H2,1-2H3,(H,24,27)(H,25,30);3-6,9,11H,2,7-8,10,22-23H2,1H3,(H,24,28);1-5H3/b28-13+;;;.
What are the key properties of N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine?
N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine has a molecular weight of 1513.94 g/mol, XLogP of 10.73, 23 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 167635204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).