N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide

C118H114F5N19O14 — CID 157481783

IUPACN-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.CNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1.COc1c(C(=O)N[C@H](C(=O)N(C)C)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](C(=O)NC2CC2)c2ccccc2)ccc2c1C(/C=C/c1ccc(F)cc1)N=N2.NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1
InChIInChI=1S/C28H25FN4O3.C27H25FN4O3.C23H25FN4O3.C22H23FN4O3.C18H16FN3O2/c1-36-26-21(27(34)31-25(18-5-3-2-4-6-18)28(35)30-20-12-13-20)14-16-23-24(26)22(32-33-23)15-9-17-7-10-19(29)11-8-17;1-32(2)27(34)24(18-7-5-4-6-8-18)29-26(33)20-14-16-22-23(25(20)35-3)21(30-31-22)15-11-17-9-12-19(28)13-10-17;1-25-23(29)18-7-9-20-21(22(18)31-15-12-28-10-13-30-14-11-28)19(26-27-20)8-4-16-2-5-17(24)6-3-16;23-16-4-1-15(2-5-16)3-7-18-20-19(26-25-18)8-6-17(22(24)28)21(20)30-14-11-27-9-12-29-13-10-27;1-20-18(23)13-8-10-15-16(17(13)24-2)14(21-22-15)9-5-11-3-6-12(19)7-4-11/h2-11,14-16,20,22,25H,12-13H2,1H3,(H,30,35)(H,31,34);4-16,24H,1-3H3,(H,29,33)(H,30,31);2-9H,10-15H2,1H3,(H,25,29)(H,26,27);1-8H,9-14H2,(H2,24,28)(H,25,26);3-10H,1-2H3,(H,20,23)(H,21,22)/b15-9+;15-11+;8-4+;7-3+;9-5+/t22?,25-;24-;;;/m00.../s1
InChIKeyBWFYMKSCVKTHPX-QRPAGWCCSA-N
MW2117.32 g/mol
LogP18.74
Rot. Bonds33

About N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide

N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide (PubChem CID 157481783) has the molecular formula C118H114F5N19O14 and a molecular weight of 2117.32 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide
PubChem CID157481783
Molecular FormulaC118H114F5N19O14
Molecular Weight2117.32 g/mol
Exact Mass2115.87
IUPAC NameN-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.CNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1.COc1c(C(=O)N[C@H](C(=O)N(C)C)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](C(=O)NC2CC2)c2ccccc2)ccc2c1C(/C=C/c1ccc(F)cc1)N=N2.NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1
InChIInChI=1S/C28H25FN4O3.C27H25FN4O3.C23H25FN4O3.C22H23FN4O3.C18H16FN3O2/c1-36-26-21(27(34)31-25(18-5-3-2-4-6-18)28(35)30-20-12-13-20)14-16-23-24(26)22(32-33-23)15-9-17-7-10-19(29)11-8-17;1-32(2)27(34)24(18-7-5-4-6-8-18)29-26(33)20-14-16-22-23(25(20)35-3)21(30-31-22)15-11-17-9-12-19(28)13-10-17;1-25-23(29)18-7-9-20-21(22(18)31-15-12-28-10-13-30-14-11-28)19(26-27-20)8-4-16-2-5-17(24)6-3-16;23-16-4-1-15(2-5-16)3-7-18-20-19(26-25-18)8-6-17(22(24)28)21(20)30-14-11-27-9-12-29-13-10-27;1-20-18(23)13-8-10-15-16(17(13)24-2)14(21-22-15)9-5-11-3-6-12(19)7-4-11/h2-11,14-16,20,22,25H,12-13H2,1H3,(H,30,35)(H,31,34);4-16,24H,1-3H3,(H,29,33)(H,30,31);2-9H,10-15H2,1H3,(H,25,29)(H,26,27);1-8H,9-14H2,(H2,24,28)(H,25,26);3-10H,1-2H3,(H,20,23)(H,21,22)/b15-9+;15-11+;8-4+;7-3+;9-5+/t22?,25-;24-;;;/m00.../s1
InChIKeyBWFYMKSCVKTHPX-QRPAGWCCSA-N
XLogP18.74
TPSA419.43 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.32
LogP ≤ 518.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide (CID 157481783) is N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.CNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1.COc1c(C(=O)N[C@H](C(=O)N(C)C)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](C(=O)NC2CC2)c2ccccc2)ccc2c1C(/C=C/c1ccc(F)cc1)N=N2.NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1.
What is the InChIKey of N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide?
The InChIKey is BWFYMKSCVKTHPX-QRPAGWCCSA-N. The full InChI is InChI=1S/C28H25FN4O3.C27H25FN4O3.C23H25FN4O3.C22H23FN4O3.C18H16FN3O2/c1-36-26-21(27(34)31-25(18-5-3-2-4-6-18)28(35)30-20-12-13-20)14-16-23-24(26)22(32-33-23)15-9-17-7-10-19(29)11-8-17;1-32(2)27(34)24(18-7-5-4-6-8-18)29-26(33)20-14-16-22-23(25(20)35-3)21(30-31-22)15-11-17-9-12-19(28)13-10-17;1-25-23(29)18-7-9-20-21(22(18)31-15-12-28-10-13-30-14-11-28)19(26-27-20)8-4-16-2-5-17(24)6-3-16;23-16-4-1-15(2-5-16)3-7-18-20-19(26-25-18)8-6-17(22(24)28)21(20)30-14-11-27-9-12-29-13-10-27;1-20-18(23)13-8-10-15-16(17(13)24-2)14(21-22-15)9-5-11-3-6-12(19)7-4-11/h2-11,14-16,20,22,25H,12-13H2,1H3,(H,30,35)(H,31,34);4-16,24H,1-3H3,(H,29,33)(H,30,31);2-9H,10-15H2,1H3,(H,25,29)(H,26,27);1-8H,9-14H2,(H2,24,28)(H,25,26);3-10H,1-2H3,(H,20,23)(H,21,22)/b15-9+;15-11+;8-4+;7-3+;9-5+/t22?,25-;24-;;;/m00.../s1.
What are the key properties of N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide?
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide has a molecular weight of 2117.32 g/mol, XLogP of 18.74, 33 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide is sourced from PubChem (CID 157481783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).