4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C159H197Cl2F4IN26O17 — CID 159802884

About 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 159802884) has the molecular formula C159H197Cl2F4IN26O17 and a molecular weight of 3018.29 g/mol. Its IUPAC name is 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
• PubChem CID: 159802884
• Molecular Formula: C159H197Cl2F4IN26O17
• Molecular Weight: 3018.29 g/mol
• Exact Mass: 3015.37
• IUPAC Name: 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
• SMILES: CC(C)(C)C.COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1C.Cc1cc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)cc1I.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C.Cc1ccc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)c1.[H]/N=C(/c1cc(OC)c(OCCCN2CCN(C)CC2)cc1N)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1
• InChI: InChI=1S/2C32H39N5O3.C30H45N7O4.C24H29N5O3.C18H16ClF2IN2O2.C18H17ClF2N2O2.C5H12/c1-22-10-12-27(23(2)20-22)37-30(21-29(35-37)32(3,4)5)34-31(38)33-26-11-13-28(25-9-7-6-8-24(25)26)40-19-16-36-14-17-39-18-15-36;1-22-10-11-24(20-23(22)2)37-30(21-29(35-37)32(3,4)5)34-31(38)33-27-12-13-28(26-9-7-6-8-25(26)27)40-19-16-36-14-17-39-18-15-36;1-22(2)41-24-8-6-23(7-9-24)33-30(38)37-17-15-36(16-18-37)29(32)25-20-27(39-4)28(21-26(25)31)40-19-5-10-35-13-11-34(3)12-14-35;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-13-17(3)22(31-4)14-21(20)25-15-26-23;1-9-6-15(12(19)7-14(9)22)23-17-11(4-5-13(20)16(17)21)18(25)24-26-8-10-2-3-10;1-10-2-7-15(13(19)8-10)22-17-12(5-6-14(20)16(17)21)18(24)23-25-9-11-3-4-11;1-5(2,3)4/h2*6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);6-9,20-22,32H,5,10-19,31H2,1-4H3,(H,33,38);5-8,13-16H,9-12H2,1-4H3,(H,27,30);4-7,10,23H,2-3,8H2,1H3,(H,24,25);2,5-8,11,22H,3-4,9H2,1H3,(H,23,24);1-4H3/b;;32-29-
• InChIKey: NKAFNGLGAFMPLK-JOLYFASASA-N
• XLogP: 32.07
• TPSA: 461.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3018.29
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The IUPAC name of 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 159802884) is 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)(C)C.COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1C.Cc1cc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)cc1I.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C.Cc1ccc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)c1.[H]/N=C(/c1cc(OC)c(OCCCN2CCN(C)CC2)cc1N)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1.

What is the InChIKey of 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The InChIKey is NKAFNGLGAFMPLK-JOLYFASASA-N. The full InChI is InChI=1S/2C32H39N5O3.C30H45N7O4.C24H29N5O3.C18H16ClF2IN2O2.C18H17ClF2N2O2.C5H12/c1-22-10-12-27(23(2)20-22)37-30(21-29(35-37)32(3,4)5)34-31(38)33-26-11-13-28(25-9-7-6-8-24(25)26)40-19-16-36-14-17-39-18-15-36;1-22-10-11-24(20-23(22)2)37-30(21-29(35-37)32(3,4)5)34-31(38)33-27-12-13-28(26-9-7-6-8-25(26)27)40-19-16-36-14-17-39-18-15-36;1-22(2)41-24-8-6-23(7-9-24)33-30(38)37-17-15-36(16-18-37)29(32)25-20-27(39-4)28(21-26(25)31)40-19-5-10-35-13-11-34(3)12-14-35;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-13-17(3)22(31-4)14-21(20)25-15-26-23;1-9-6-15(12(19)7-14(9)22)23-17-11(4-5-13(20)16(17)21)18(25)24-26-8-10-2-3-10;1-10-2-7-15(13(19)8-10)22-17-12(5-6-14(20)16(17)21)18(24)23-25-9-11-3-4-11;1-5(2,3)4/h2*6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);6-9,20-22,32H,5,10-19,31H2,1-4H3,(H,33,38);5-8,13-16H,9-12H2,1-4H3,(H,27,30);4-7,10,23H,2-3,8H2,1H3,(H,24,25);2,5-8,11,22H,3-4,9H2,1H3,(H,23,24);1-4H3/b;;32-29-;;;;.

What are the key properties of 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 3018.29 g/mol, XLogP of 32.07, 41 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenecarboximidoyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2,2-dimethylpropane;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 159802884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).