3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)

C112H110N24O18S2 — CID 161000057

IUPAC3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]nc(NS(=O)(=O)c4ccccc4)c3c2)CC1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCNCC3)cc12)c1ccccc1.O=C(O)c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1.O=C(O)c1ccc2[nH]nc(NS(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C24H29N5O5S.2C20H20N4O2.C19H19N5O2.C15H11N3O3.C14H11N3O4S/c1-24(2,3)34-23(31)29-13-11-17(12-14-29)25-22(30)16-9-10-20-19(15-16)21(27-26-20)28-35(32,33)18-7-5-4-6-8-18;2*25-19(14-7-3-1-4-8-14)21-18-16-13-15(9-10-17(16)22-23-18)20(26)24-11-5-2-6-12-24;25-18(13-4-2-1-3-5-13)21-17-15-12-14(6-7-16(15)22-23-17)19(26)24-10-8-20-9-11-24;19-14(9-4-2-1-3-5-9)16-13-11-8-10(15(20)21)6-7-12(11)17-18-13;18-14(19)9-6-7-12-11(8-9)13(16-15-12)17-22(20,21)10-4-2-1-3-5-10/h4-10,15,17H,11-14H2,1-3H3,(H,25,30)(H2,26,27,28);2*1,3-4,7-10,13H,2,5-6,11-12H2,(H2,21,22,23,25);1-7,12,20H,8-11H2,(H2,21,22,23,25);1-8H,(H,20,21)(H2,16,17,18,19);1-8H,(H,18,19)(H2,15,16,17)
InChIKeyTVTCXTBEDVUMNH-UHFFFAOYSA-N
MW2144.40 g/mol
LogP16.81
Rot. Bonds21

About 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)

3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide) (PubChem CID 161000057) has the molecular formula C112H110N24O18S2 and a molecular weight of 2144.40 g/mol. Its IUPAC name is 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide).

Molecular Properties

Compound Name3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)
PubChem CID161000057
Molecular FormulaC112H110N24O18S2
Molecular Weight2144.40 g/mol
Exact Mass2142.79
IUPAC Name3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]nc(NS(=O)(=O)c4ccccc4)c3c2)CC1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCNCC3)cc12)c1ccccc1.O=C(O)c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1.O=C(O)c1ccc2[nH]nc(NS(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C24H29N5O5S.2C20H20N4O2.C19H19N5O2.C15H11N3O3.C14H11N3O4S/c1-24(2,3)34-23(31)29-13-11-17(12-14-29)25-22(30)16-9-10-20-19(15-16)21(27-26-20)28-35(32,33)18-7-5-4-6-8-18;2*25-19(14-7-3-1-4-8-14)21-18-16-13-15(9-10-17(16)22-23-18)20(26)24-11-5-2-6-12-24;25-18(13-4-2-1-3-5-13)21-17-15-12-14(6-7-16(15)22-23-17)19(26)24-10-8-20-9-11-24;19-14(9-4-2-1-3-5-9)16-13-11-8-10(15(20)21)6-7-12(11)17-18-13;18-14(19)9-6-7-12-11(8-9)13(16-15-12)17-22(20,21)10-4-2-1-3-5-10/h4-10,15,17H,11-14H2,1-3H3,(H,25,30)(H2,26,27,28);2*1,3-4,7-10,13H,2,5-6,11-12H2,(H2,21,22,23,25);1-7,12,20H,8-11H2,(H2,21,22,23,25);1-8H,(H,20,21)(H2,16,17,18,19);1-8H,(H,18,19)(H2,15,16,17)
InChIKeyTVTCXTBEDVUMNH-UHFFFAOYSA-N
XLogP16.81
TPSA587.02 Ų
H-Bond Donors16
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002144.40
LogP ≤ 516.81
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1023

Analyze 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide) with MolForge

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Related Compounds

3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;3-bromo-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide;N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)
CID 157417774
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid
CID 158226729
[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159448025

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)?
The IUPAC name of 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide) (CID 161000057) is 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide).
What is the SMILES notation for 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)?
The canonical SMILES for 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide) is CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]nc(NS(=O)(=O)c4ccccc4)c3c2)CC1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.O=C(Nc1n[nH]c2ccc(C(=O)N3CCNCC3)cc12)c1ccccc1.O=C(O)c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1.O=C(O)c1ccc2[nH]nc(NS(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)?
The InChIKey is TVTCXTBEDVUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S.2C20H20N4O2.C19H19N5O2.C15H11N3O3.C14H11N3O4S/c1-24(2,3)34-23(31)29-13-11-17(12-14-29)25-22(30)16-9-10-20-19(15-16)21(27-26-20)28-35(32,33)18-7-5-4-6-8-18;2*25-19(14-7-3-1-4-8-14)21-18-16-13-15(9-10-17(16)22-23-18)20(26)24-11-5-2-6-12-24;25-18(13-4-2-1-3-5-13)21-17-15-12-14(6-7-16(15)22-23-17)19(26)24-10-8-20-9-11-24;19-14(9-4-2-1-3-5-9)16-13-11-8-10(15(20)21)6-7-12(11)17-18-13;18-14(19)9-6-7-12-11(8-9)13(16-15-12)17-22(20,21)10-4-2-1-3-5-10/h4-10,15,17H,11-14H2,1-3H3,(H,25,30)(H2,26,27,28);2*1,3-4,7-10,13H,2,5-6,11-12H2,(H2,21,22,23,25);1-7,12,20H,8-11H2,(H2,21,22,23,25);1-8H,(H,20,21)(H2,16,17,18,19);1-8H,(H,18,19)(H2,15,16,17).
What are the key properties of 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide)?
3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide) has a molecular weight of 2144.40 g/mol, XLogP of 16.81, 21 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-1H-indazole-5-carboxylic acid;tert-butyl 4-[[3-(benzenesulfonamido)-1H-indazole-5-carbonyl]amino]piperidine-1-carboxylate;N-[5-(piperazine-1-carbonyl)-1H-indazol-3-yl]benzamide;bis(N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide) is sourced from PubChem (CID 161000057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).