[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone

C67H76N14O4 — CID 159918166

IUPAC[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOC)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1
InChIInChI=1S/C23H27N5O2.C23H27N5O.C21H22N4O/c1-17(24-19-6-4-3-5-7-19)22-20-16-18(8-9-21(20)25-26-22)23(29)28-12-10-27(11-13-28)14-15-30-2;1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(16-8-4-2-5-9-16)22-20-18-14-17(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25/h3-9,16,24H,1,10-15H2,2H3,(H,25,26);4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24)
InChIKeyNYBAYOXEKXQOBT-UHFFFAOYSA-N
MW1141.44 g/mol
LogP11.14
Rot. Bonds17

About [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone

[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 159918166) has the molecular formula C67H76N14O4 and a molecular weight of 1141.44 g/mol. Its IUPAC name is [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
PubChem CID159918166
Molecular FormulaC67H76N14O4
Molecular Weight1141.44 g/mol
Exact Mass1140.62
IUPAC Name[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOC)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1
InChIInChI=1S/C23H27N5O2.C23H27N5O.C21H22N4O/c1-17(24-19-6-4-3-5-7-19)22-20-16-18(8-9-21(20)25-26-22)23(29)28-12-10-27(11-13-28)14-15-30-2;1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(16-8-4-2-5-9-16)22-20-18-14-17(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25/h3-9,16,24H,1,10-15H2,2H3,(H,25,26);4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24)
InChIKeyNYBAYOXEKXQOBT-UHFFFAOYSA-N
XLogP11.14
TPSA198.77 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.44
LogP ≤ 511.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-methoxyethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25176332
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 25176649
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(1,3-dimethoxypropan-2-ylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 59577345
N-(5-benzyl-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 59577361
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 117738442
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
CID 117738670
N-[5-[2-(3,5-difluorophenyl)ethyl]-1H-indazol-3-yl]-2-(2-methoxyethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25175552
N-[5-[2-(3,5-difluorophenyl)ethyl]-1H-indazol-3-yl]-2-[(1-methoxy-2-methylpropan-2-yl)amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175554
N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175710
N-[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-indazol-3-yl]-2-(2-methoxyethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25175718
N-[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-indazol-3-yl]-2-[(1-methoxy-2-methylpropan-2-yl)amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175864
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]benzamide
CID 25176012

Frequently Asked Questions

What is the IUPAC name of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone (CID 159918166) is [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone is C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOC)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.
What is the InChIKey of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is NYBAYOXEKXQOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C23H27N5O.C21H22N4O/c1-17(24-19-6-4-3-5-7-19)22-20-16-18(8-9-21(20)25-26-22)23(29)28-12-10-27(11-13-28)14-15-30-2;1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(16-8-4-2-5-9-16)22-20-18-14-17(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25/h3-9,16,24H,1,10-15H2,2H3,(H,25,26);4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24).
What are the key properties of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1141.44 g/mol, XLogP of 11.14, 17 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159918166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).