N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide

C79H71F4N17O7 — CID 159514484

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(F)c2n[nH]c(C=Cc3cccnc3)c2c1)C(N)=O.Cn1nc(/C=C/c2cccnc2)c2cc(NC(=O)OC(C)(C)C)cc(F)c21.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C23H19FN4O2.C20H21FN4O2.C18H16FN5O2.C18H15FN4O/c24-19-12-17(23(30)26-21(14-29)16-6-2-1-3-7-16)11-18-20(27-28-22(18)19)9-8-15-5-4-10-25-13-15;1-20(2,3)27-19(26)23-14-10-15-17(8-7-13-6-5-9-22-12-13)24-25(4)18(15)16(21)11-14;1-10(17(20)25)22-18(26)12-7-13-15(23-24-16(13)14(19)8-12)5-4-11-3-2-6-21-9-11;19-15-9-12(18(24)21-13-4-5-13)8-14-16(22-23-17(14)15)6-3-11-2-1-7-20-10-11/h1-13,21,29H,14H2,(H,26,30)(H,27,28);5-12H,1-4H3,(H,23,26);2-10H,1H3,(H2,20,25)(H,22,26)(H,23,24);1-3,6-10,13H,4-5H2,(H,21,24)(H,22,23)/b9-8+;8-7+;;6-3+/t21-;;10-;/m1.0./s1
InChIKeyMAZXDFDBEUYEHM-FJSDSAIISA-N
MW1446.54 g/mol
LogP13.39
Rot. Bonds18

About N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 159514484) has the molecular formula C79H71F4N17O7 and a molecular weight of 1446.54 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
PubChem CID159514484
Molecular FormulaC79H71F4N17O7
Molecular Weight1446.54 g/mol
Exact Mass1445.57
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(F)c2n[nH]c(C=Cc3cccnc3)c2c1)C(N)=O.Cn1nc(/C=C/c2cccnc2)c2cc(NC(=O)OC(C)(C)C)cc(F)c21.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C23H19FN4O2.C20H21FN4O2.C18H16FN5O2.C18H15FN4O/c24-19-12-17(23(30)26-21(14-29)16-6-2-1-3-7-16)11-18-20(27-28-22(18)19)9-8-15-5-4-10-25-13-15;1-20(2,3)27-19(26)23-14-10-15-17(8-7-13-6-5-9-22-12-13)24-25(4)18(15)16(21)11-14;1-10(17(20)25)22-18(26)12-7-13-15(23-24-16(13)14(19)8-12)5-4-11-3-2-6-21-9-11;19-15-9-12(18(24)21-13-4-5-13)8-14-16(22-23-17(14)15)6-3-11-2-1-7-20-10-11/h1-13,21,29H,14H2,(H,26,30)(H,27,28);5-12H,1-4H3,(H,23,26);2-10H,1H3,(H2,20,25)(H,22,26)(H,23,24);1-3,6-10,13H,4-5H2,(H,21,24)(H,22,23)/b9-8+;8-7+;;6-3+/t21-;;10-;/m1.0./s1
InChIKeyMAZXDFDBEUYEHM-FJSDSAIISA-N
XLogP13.39
TPSA344.37 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms107
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001446.54
LogP ≤ 513.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide (CID 159514484) is N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide is C[C@H](NC(=O)c1cc(F)c2n[nH]c(C=Cc3cccnc3)c2c1)C(N)=O.Cn1nc(/C=C/c2cccnc2)c2cc(NC(=O)OC(C)(C)C)cc(F)c21.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?
The InChIKey is MAZXDFDBEUYEHM-FJSDSAIISA-N. The full InChI is InChI=1S/C23H19FN4O2.C20H21FN4O2.C18H16FN5O2.C18H15FN4O/c24-19-12-17(23(30)26-21(14-29)16-6-2-1-3-7-16)11-18-20(27-28-22(18)19)9-8-15-5-4-10-25-13-15;1-20(2,3)27-19(26)23-14-10-15-17(8-7-13-6-5-9-22-12-13)24-25(4)18(15)16(21)11-14;1-10(17(20)25)22-18(26)12-7-13-15(23-24-16(13)14(19)8-12)5-4-11-3-2-6-21-9-11;19-15-9-12(18(24)21-13-4-5-13)8-14-16(22-23-17(14)15)6-3-11-2-1-7-20-10-11/h1-13,21,29H,14H2,(H,26,30)(H,27,28);5-12H,1-4H3,(H,23,26);2-10H,1H3,(H2,20,25)(H,22,26)(H,23,24);1-3,6-10,13H,4-5H2,(H,21,24)(H,22,23)/b9-8+;8-7+;;6-3+/t21-;;10-;/m1.0./s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide has a molecular weight of 1446.54 g/mol, XLogP of 13.39, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 159514484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).