N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide

C122H132Cl3F4N23O15 — CID 159673361

About N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide

N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide (PubChem CID 159673361) has the molecular formula C122H132Cl3F4N23O15 and a molecular weight of 2342.89 g/mol. Its IUPAC name is N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
• PubChem CID: 159673361
• Molecular Formula: C122H132Cl3F4N23O15
• Molecular Weight: 2342.89 g/mol
• Exact Mass: 2339.93
• IUPAC Name: N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(N(C)C)ccc1-c1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)=C2.C=CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C1=NCC2=C1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1Cl)C2.C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1)C2.C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1F)C2
• InChI: InChI=1S/C30H34F2N4O3.C26H26Cl2N4O3.C22H23ClFN5O3.C22H24FN5O3.C22H25N5O3/c1-5-26(37)34-23-9-7-20(36-12-10-35(2)11-13-36)15-22(23)30-21-8-6-18(14-19(21)17-33-30)27-28(31)24(38-3)16-25(39-4)29(27)32;1-6-22(33)29-18-12-15(32(2)3)8-10-16(18)26-17-9-7-14(11-19(17)30-31-26)23-24(27)20(34-4)13-21(35-5)25(23)28;1-5-17(30)26-14-10-25-29(2)22(14)21-12-7-6-11(8-13(12)27-28-21)18-19(23)15(31-3)9-16(32-4)20(18)24;1-5-19(29)25-17-11-24-28(2)22(17)21-14-7-6-12(8-16(14)26-27-21)15-9-13(30-3)10-18(31-4)20(15)23;1-5-20(28)24-19-12-23-27(2)22(19)21-17-7-6-13(10-18(17)25-26-21)14-8-15(29-3)11-16(9-14)30-4/h5,7,9,15-16,18H,1,6,8,10-14,17H2,2-4H3,(H,34,37);6,8,10-13H,1,7,9H2,2-5H3,(H,29,33)(H,30,31);5,9-11H,1,6-8H2,2-4H3,(H,26,30)(H,27,28);5,9-12H,1,6-8H2,2-4H3,(H,25,29)(H,26,27);5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,24,28)(H,25,26)
• InChIKey: MUGWJWKQRITAIT-UHFFFAOYSA-N
• XLogP: 21.61
• TPSA: 428.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2342.89
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide?

The IUPAC name of N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide (CID 159673361) is N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide?

The canonical SMILES for N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cc(N(C)C)ccc1-c1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)=C2.C=CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C1=NCC2=C1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1Cl)C2.C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1)C2.C=CC(=O)Nc1cnn(C)c1-c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1F)C2.

What is the InChIKey of N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide?

The InChIKey is MUGWJWKQRITAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N4O3.C26H26Cl2N4O3.C22H23ClFN5O3.C22H24FN5O3.C22H25N5O3/c1-5-26(37)34-23-9-7-20(36-12-10-35(2)11-13-36)15-22(23)30-21-8-6-18(14-19(21)17-33-30)27-28(31)24(38-3)16-25(39-4)29(27)32;1-6-22(33)29-18-12-15(32(2)3)8-10-16(18)26-17-9-7-14(11-19(17)30-31-26)23-24(27)20(34-4)13-21(35-5)25(23)28;1-5-17(30)26-14-10-25-29(2)22(14)21-12-7-6-11(8-13(12)27-28-21)18-19(23)15(31-3)9-16(32-4)20(18)24;1-5-19(29)25-17-11-24-28(2)22(17)21-14-7-6-12(8-16(14)26-27-21)15-9-13(30-3)10-18(31-4)20(15)23;1-5-20(28)24-19-12-23-27(2)22(19)21-17-7-6-13(10-18(17)25-26-21)14-8-15(29-3)11-16(9-14)30-4/h5,7,9,15-16,18H,1,6,8,10-14,17H2,2-4H3,(H,34,37);6,8,10-13H,1,7,9H2,2-5H3,(H,29,33)(H,30,31);5,9-11H,1,6-8H2,2-4H3,(H,26,30)(H,27,28);5,9-12H,1,6-8H2,2-4H3,(H,25,29)(H,26,27);5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,24,28)(H,25,26).

What are the key properties of N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide?

N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide has a molecular weight of 2342.89 g/mol, XLogP of 21.61, 32 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 159673361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).