N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide

C124H110BrCl3N24O11 — CID 160880629

IUPACN-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide
SMILESC#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CCCC3)cc2c1.Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cc1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)no1.Cc1nc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)n[nH]1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H17ClN2O.C22H20N2O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2.C15H14ClN5O.C15H14ClN3O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2-16-10-11-19-17(14-16)15-20(23-19)21(25)24-22(12-6-7-13-22)18-8-4-3-5-9-18;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15;1-8-17-14(21-20-8)15(4-5-15)19-13(22)12-7-9-6-10(16)2-3-11(9)18-12;1-8-5-13(19-21-8)9(2)17-15(20)14-7-10-6-11(16)3-4-12(10)18-14/h1-14,21,24H,(H,25,26);1,3-5,8-11,14-15,23H,6-7,12-13H2,(H,24,25);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21);2-3,6-7,18H,4-5H2,1H3,(H,19,22)(H,17,20,21);3-7,9,18H,1-2H3,(H,17,20)
InChIKeySMZFKMZEQJASRS-UHFFFAOYSA-N
MW2298.66 g/mol
LogP23.43
Rot. Bonds23

About N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide

N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide (PubChem CID 160880629) has the molecular formula C124H110BrCl3N24O11 and a molecular weight of 2298.66 g/mol. Its IUPAC name is N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide
PubChem CID160880629
Molecular FormulaC124H110BrCl3N24O11
Molecular Weight2298.66 g/mol
Exact Mass2294.70
IUPAC NameN-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide
SMILESC#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CCCC3)cc2c1.Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cc1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)no1.Cc1nc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)n[nH]1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H17ClN2O.C22H20N2O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2.C15H14ClN5O.C15H14ClN3O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2-16-10-11-19-17(14-16)15-20(23-19)21(25)24-22(12-6-7-13-22)18-8-4-3-5-9-18;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15;1-8-17-14(21-20-8)15(4-5-15)19-13(22)12-7-9-6-10(16)2-3-11(9)18-12;1-8-5-13(19-21-8)9(2)17-15(20)14-7-10-6-11(16)3-4-12(10)18-14/h1-14,21,24H,(H,25,26);1,3-5,8-11,14-15,23H,6-7,12-13H2,(H,24,25);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21);2-3,6-7,18H,4-5H2,1H3,(H,19,22)(H,17,20,21);3-7,9,18H,1-2H3,(H,17,20)
InChIKeySMZFKMZEQJASRS-UHFFFAOYSA-N
XLogP23.43
TPSA497.51 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002298.66
LogP ≤ 523.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide?
The IUPAC name of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide (CID 160880629) is N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide is C#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CCCC3)cc2c1.Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cc1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)no1.Cc1nc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)n[nH]1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide?
The InChIKey is SMZFKMZEQJASRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O.C22H20N2O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2.C15H14ClN5O.C15H14ClN3O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2-16-10-11-19-17(14-16)15-20(23-19)21(25)24-22(12-6-7-13-22)18-8-4-3-5-9-18;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15;1-8-17-14(21-20-8)15(4-5-15)19-13(22)12-7-9-6-10(16)2-3-11(9)18-12;1-8-5-13(19-21-8)9(2)17-15(20)14-7-10-6-11(16)3-4-12(10)18-14/h1-14,21,24H,(H,25,26);1,3-5,8-11,14-15,23H,6-7,12-13H2,(H,24,25);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21);2-3,6-7,18H,4-5H2,1H3,(H,19,22)(H,17,20,21);3-7,9,18H,1-2H3,(H,17,20).
What are the key properties of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide?
N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide has a molecular weight of 2298.66 g/mol, XLogP of 23.43, 23 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethynyl-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 160880629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).