4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane

C128H130ClF4N26O4PS — CID 161448481

IUPAC4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane
SMILESCC(C)(C)CN.CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CO.CS(=O)(=O)Cl.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN)ccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN=[N+]=[N-])ccn23)n1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27FN6.C26H21FN8.C26H23FN6.C23H24FN5O.C18H15P.C5H13N.CH3ClO2S.CH4O/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27;1-17(19-5-3-2-4-6-19)31-26-29-13-11-22(32-26)25-24(20-7-9-21(27)10-8-20)33-23-15-18(16-30-34-28)12-14-35(23)25;1-17(19-5-3-2-4-6-19)30-26-29-13-11-22(31-26)25-24(20-7-9-21(27)10-8-20)32-23-15-18(16-28)12-14-33(23)25;1-23(2,3)14-26-22-25-10-8-18(27-22)21-20(16-4-6-17(24)7-5-16)28-19-12-15(13-30)9-11-29(19)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4-6;1-5(2,3)4;1-2/h4-17,19H,18H2,1-3H3,(H,30,31,32);2-15,17H,16H2,1H3,(H,29,31,32);2-15,17H,16,28H2,1H3,(H,29,30,31);4-12,30H,13-14H2,1-3H3,(H,25,26,27);1-15H;4,6H2,1-3H3;1H3;2H,1H3/t19-;2*17-;;;;;/m000...../s1
InChIKeyWAFBWKDLYMZHNH-UYPHCMBISA-N
MW2271.11 g/mol
LogP26.42
Rot. Bonds28

About 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane

4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane (PubChem CID 161448481) has the molecular formula C128H130ClF4N26O4PS and a molecular weight of 2271.11 g/mol. Its IUPAC name is 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane.

Molecular Properties

Compound Name4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane
PubChem CID161448481
Molecular FormulaC128H130ClF4N26O4PS
Molecular Weight2271.11 g/mol
Exact Mass2268.99
IUPAC Name4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane
SMILESCC(C)(C)CN.CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CO.CS(=O)(=O)Cl.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN)ccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN=[N+]=[N-])ccn23)n1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27FN6.C26H21FN8.C26H23FN6.C23H24FN5O.C18H15P.C5H13N.CH3ClO2S.CH4O/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27;1-17(19-5-3-2-4-6-19)31-26-29-13-11-22(32-26)25-24(20-7-9-21(27)10-8-20)33-23-15-18(16-30-34-28)12-14-35(23)25;1-17(19-5-3-2-4-6-19)30-26-29-13-11-22(31-26)25-24(20-7-9-21(27)10-8-20)32-23-15-18(16-28)12-14-33(23)25;1-23(2,3)14-26-22-25-10-8-18(27-22)21-20(16-4-6-17(24)7-5-16)28-19-12-15(13-30)9-11-29(19)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4-6;1-5(2,3)4;1-2/h4-17,19H,18H2,1-3H3,(H,30,31,32);2-15,17H,16H2,1H3,(H,29,31,32);2-15,17H,16,28H2,1H3,(H,29,30,31);4-12,30H,13-14H2,1-3H3,(H,25,26,27);1-15H;4,6H2,1-3H3;1H3;2H,1H3/t19-;2*17-;;;;;/m000...../s1
InChIKeyWAFBWKDLYMZHNH-UYPHCMBISA-N
XLogP26.42
TPSA399.08 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.11
LogP ≤ 526.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane?
The IUPAC name of 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane (CID 161448481) is 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane.
What is the SMILES notation for 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane?
The canonical SMILES for 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane is CC(C)(C)CN.CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CO.CS(=O)(=O)Cl.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN)ccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN=[N+]=[N-])ccn23)n1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane?
The InChIKey is WAFBWKDLYMZHNH-UYPHCMBISA-N. The full InChI is InChI=1S/C28H27FN6.C26H21FN8.C26H23FN6.C23H24FN5O.C18H15P.C5H13N.CH3ClO2S.CH4O/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27;1-17(19-5-3-2-4-6-19)31-26-29-13-11-22(32-26)25-24(20-7-9-21(27)10-8-20)33-23-15-18(16-30-34-28)12-14-35(23)25;1-17(19-5-3-2-4-6-19)30-26-29-13-11-22(31-26)25-24(20-7-9-21(27)10-8-20)32-23-15-18(16-28)12-14-33(23)25;1-23(2,3)14-26-22-25-10-8-18(27-22)21-20(16-4-6-17(24)7-5-16)28-19-12-15(13-30)9-11-29(19)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4-6;1-5(2,3)4;1-2/h4-17,19H,18H2,1-3H3,(H,30,31,32);2-15,17H,16H2,1H3,(H,29,31,32);2-15,17H,16,28H2,1H3,(H,29,30,31);4-12,30H,13-14H2,1-3H3,(H,25,26,27);1-15H;4,6H2,1-3H3;1H3;2H,1H3/t19-;2*17-;;;;;/m000...../s1.
What are the key properties of 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane?
4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane has a molecular weight of 2271.11 g/mol, XLogP of 26.42, 28 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(aminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-(azidomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2,2-dimethylpropan-1-amine;[3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methanesulfonyl chloride;methanol;triphenylphosphane is sourced from PubChem (CID 161448481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).