N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C105H112F7N27O6 — CID 167560269

IUPACN-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCN(c2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1.C[C@H](NC(=O)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12)C(C)(F)F.Cc1ncc(-c2cc(F)c3n[nH]c(C(=O)NC4CCC(C)(F)CC4)c3c2)n1C.Cn1cc(-c2cc3c(C(=O)Nc4cccc(OC5CCCCC5)c4)n[nH]c3cc2F)cn1.Cn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1
InChIInChI=1S/C24H24FN5O2.C23H24FN7O.C22H25N5O.C20H23F2N5O.C16H16F3N5O/c1-30-14-15(13-26-30)19-11-20-22(12-21(19)25)28-29-23(20)24(31)27-16-6-5-9-18(10-16)32-17-7-3-2-4-8-17;1-29-6-8-31(9-7-29)17-5-3-4-16(10-17)26-23(32)22-19-11-18(15-13-25-30(2)14-15)20(24)12-21(19)27-28-22;1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22;1-11-23-10-16(27(11)3)12-8-14-17(15(21)9-12)25-26-18(14)19(28)24-13-4-6-20(2,22)7-5-13;1-8(16(2,18)19)21-15(25)14-11-4-9(10-6-20-24(3)7-10)5-12(17)13(11)22-23-14/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);3-5,10-14H,6-9H2,1-2H3,(H,26,32)(H,27,28);2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26);8-10,13H,4-7H2,1-3H3,(H,24,28)(H,25,26);4-8H,1-3H3,(H,21,25)(H,22,23)/t;;;;8-/m....0/s1
InChIKeyDOIFRJRBGUGVRR-JIJBQRLRSA-N
MW1981.22 g/mol
LogP18.52
Rot. Bonds19

About N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 167560269) has the molecular formula C105H112F7N27O6 and a molecular weight of 1981.22 g/mol. Its IUPAC name is N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID167560269
Molecular FormulaC105H112F7N27O6
Molecular Weight1981.22 g/mol
Exact Mass1979.92
IUPAC NameN-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCN(c2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1.C[C@H](NC(=O)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12)C(C)(F)F.Cc1ncc(-c2cc(F)c3n[nH]c(C(=O)NC4CCC(C)(F)CC4)c3c2)n1C.Cn1cc(-c2cc3c(C(=O)Nc4cccc(OC5CCCCC5)c4)n[nH]c3cc2F)cn1.Cn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1
InChIInChI=1S/C24H24FN5O2.C23H24FN7O.C22H25N5O.C20H23F2N5O.C16H16F3N5O/c1-30-14-15(13-26-30)19-11-20-22(12-21(19)25)28-29-23(20)24(31)27-16-6-5-9-18(10-16)32-17-7-3-2-4-8-17;1-29-6-8-31(9-7-29)17-5-3-4-16(10-17)26-23(32)22-19-11-18(15-13-25-30(2)14-15)20(24)12-21(19)27-28-22;1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22;1-11-23-10-16(27(11)3)12-8-14-17(15(21)9-12)25-26-18(14)19(28)24-13-4-6-20(2,22)7-5-13;1-8(16(2,18)19)21-15(25)14-11-4-9(10-6-20-24(3)7-10)5-12(17)13(11)22-23-14/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);3-5,10-14H,6-9H2,1-2H3,(H,26,32)(H,27,28);2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26);8-10,13H,4-7H2,1-3H3,(H,24,28)(H,25,26);4-8H,1-3H3,(H,21,25)(H,22,23)/t;;;;8-/m....0/s1
InChIKeyDOIFRJRBGUGVRR-JIJBQRLRSA-N
XLogP18.52
TPSA393.71 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.22
LogP ≤ 518.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 167560269) is N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is CN1CCN(c2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1.C[C@H](NC(=O)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12)C(C)(F)F.Cc1ncc(-c2cc(F)c3n[nH]c(C(=O)NC4CCC(C)(F)CC4)c3c2)n1C.Cn1cc(-c2cc3c(C(=O)Nc4cccc(OC5CCCCC5)c4)n[nH]c3cc2F)cn1.Cn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1.
What is the InChIKey of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is DOIFRJRBGUGVRR-JIJBQRLRSA-N. The full InChI is InChI=1S/C24H24FN5O2.C23H24FN7O.C22H25N5O.C20H23F2N5O.C16H16F3N5O/c1-30-14-15(13-26-30)19-11-20-22(12-21(19)25)28-29-23(20)24(31)27-16-6-5-9-18(10-16)32-17-7-3-2-4-8-17;1-29-6-8-31(9-7-29)17-5-3-4-16(10-17)26-23(32)22-19-11-18(15-13-25-30(2)14-15)20(24)12-21(19)27-28-22;1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22;1-11-23-10-16(27(11)3)12-8-14-17(15(21)9-12)25-26-18(14)19(28)24-13-4-6-20(2,22)7-5-13;1-8(16(2,18)19)21-15(25)14-11-4-9(10-6-20-24(3)7-10)5-12(17)13(11)22-23-14/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);3-5,10-14H,6-9H2,1-2H3,(H,26,32)(H,27,28);2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26);8-10,13H,4-7H2,1-3H3,(H,24,28)(H,25,26);4-8H,1-3H3,(H,21,25)(H,22,23)/t;;;;8-/m....0/s1.
What are the key properties of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 1981.22 g/mol, XLogP of 18.52, 19 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 167560269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).