acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine

C125H123ClF7N27O20 — CID 159738775

About acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine

acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine (PubChem CID 159738775) has the molecular formula C125H123ClF7N27O20 and a molecular weight of 2491.97 g/mol. Its IUPAC name is acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine
• PubChem CID: 159738775
• Molecular Formula: C125H123ClF7N27O20
• Molecular Weight: 2491.97 g/mol
• Exact Mass: 2489.90
• IUPAC Name: acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine
• SMILES: CC(=O)O.CN1CCC(O)C(F)(F)C1.COc1cc(F)c(C#N)c(/N=C/N(C)C)c1.COc1cc(F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1.COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1.Cc1cc(N)ccc1Oc1ccn2ccnc2c1.Cc1cc([N+](=O)[O-])ccc1F.Cc1cc([N+](=O)[O-])ccc1Oc1ccn2ccnc2c1.Cc1cc([N+](=O)[O-])ccc1Oc1ccnc(N)c1.Nc1cc(=O)cc[nH]1.O=CCCl
• InChI: InChI=1S/C29H28F2N6O3.C23H18FN5O2.C14H11N3O3.C14H13N3O.C12H11N3O3.C11H12FN3O.C7H6FNO2.C6H11F2NO.C5H6N2O.C2H3ClO.C2H4O2/c1-18-12-19(4-5-23(18)39-20-6-10-37-11-8-32-26(37)15-20)35-28-27-22(33-17-34-28)13-21(38-3)14-24(27)40-25-7-9-36(2)16-29(25,30)31;1-14-9-15(3-4-20(14)31-16-5-7-29-8-6-25-21(29)12-16)28-23-22-18(24)10-17(30-2)11-19(22)26-13-27-23;1-10-8-11(17(18)19)2-3-13(10)20-12-4-6-16-7-5-15-14(16)9-12;1-10-8-11(15)2-3-13(10)18-12-4-6-17-7-5-16-14(17)9-12;1-8-6-9(15(16)17)2-3-11(8)18-10-4-5-14-12(13)7-10;1-15(2)7-14-11-5-8(16-3)4-10(12)9(11)6-13;1-5-4-6(9(10)11)2-3-7(5)8;1-9-3-2-5(10)6(7,8)4-9;6-5-3-4(8)1-2-7-5;3-1-2-4;1-2(3)4/h4-6,8,10-15,17,25H,7,9,16H2,1-3H3,(H,33,34,35);3-13H,1-2H3,(H,26,27,28);2-9H,1H3;2-9H,15H2,1H3;2-7H,1H3,(H2,13,14);4-5,7H,1-3H3;2-4H,1H3;5,10H,2-4H2,1H3;1-3H,(H3,6,7,8);2H,1H2;1H3,(H,3,4)/b;;;;;14-7+
• InChIKey: DAJPFCPILPERRV-KZOPNNLCSA-N
• XLogP: 24.91
• TPSA: 601.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2491.97
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine?

The IUPAC name of acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine (CID 159738775) is acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine.

What is the SMILES notation for acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine?

The canonical SMILES for acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine is CC(=O)O.CN1CCC(O)C(F)(F)C1.COc1cc(F)c(C#N)c(/N=C/N(C)C)c1.COc1cc(F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1.COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1.Cc1cc(N)ccc1Oc1ccn2ccnc2c1.Cc1cc([N+](=O)[O-])ccc1F.Cc1cc([N+](=O)[O-])ccc1Oc1ccn2ccnc2c1.Cc1cc([N+](=O)[O-])ccc1Oc1ccnc(N)c1.Nc1cc(=O)cc[nH]1.O=CCCl.

What is the InChIKey of acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine?

The InChIKey is DAJPFCPILPERRV-KZOPNNLCSA-N. The full InChI is InChI=1S/C29H28F2N6O3.C23H18FN5O2.C14H11N3O3.C14H13N3O.C12H11N3O3.C11H12FN3O.C7H6FNO2.C6H11F2NO.C5H6N2O.C2H3ClO.C2H4O2/c1-18-12-19(4-5-23(18)39-20-6-10-37-11-8-32-26(37)15-20)35-28-27-22(33-17-34-28)13-21(38-3)14-24(27)40-25-7-9-36(2)16-29(25,30)31;1-14-9-15(3-4-20(14)31-16-5-7-29-8-6-25-21(29)12-16)28-23-22-18(24)10-17(30-2)11-19(22)26-13-27-23;1-10-8-11(17(18)19)2-3-13(10)20-12-4-6-16-7-5-15-14(16)9-12;1-10-8-11(15)2-3-13(10)18-12-4-6-17-7-5-16-14(17)9-12;1-8-6-9(15(16)17)2-3-11(8)18-10-4-5-14-12(13)7-10;1-15(2)7-14-11-5-8(16-3)4-10(12)9(11)6-13;1-5-4-6(9(10)11)2-3-7(5)8;1-9-3-2-5(10)6(7,8)4-9;6-5-3-4(8)1-2-7-5;3-1-2-4;1-2(3)4/h4-6,8,10-15,17,25H,7,9,16H2,1-3H3,(H,33,34,35);3-13H,1-2H3,(H,26,27,28);2-9H,1H3;2-9H,15H2,1H3;2-7H,1H3,(H2,13,14);4-5,7H,1-3H3;2-4H,1H3;5,10H,2-4H2,1H3;1-3H,(H3,6,7,8);2H,1H2;1H3,(H,3,4)/b;;;;;14-7+;;;;;.

What are the key properties of acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine?

acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine has a molecular weight of 2491.97 g/mol, XLogP of 24.91, 25 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-amino-1H-pyridin-4-one;2-chloroacetaldehyde;N'-(2-cyano-3-fluoro-5-methoxyphenyl)-N,N-dimethylmethanimidamide;3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;1-fluoro-2-methyl-4-nitrobenzene;4-imidazo[1,2-a]pyridin-7-yloxy-3-methylaniline;7-(2-methyl-4-nitrophenoxy)imidazo[1,2-a]pyridine;4-(2-methyl-4-nitrophenoxy)pyridin-2-amine is sourced from PubChem (CID 159738775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).