5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
C112H113Cl5N28O12 — CID 158554988
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccn(C)n1.COCCn1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)cn1.COCCn1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1.Cc1c(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cnn1C.Cc1nc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)co1.Cc1noc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1.Cn1cc(C2(NC(=O)c3cc4ccc(O)cc4[nH]3)CC2)cn1
InChIInChI=1S/C18H19N5O2.C17H19ClN4O2.C17H17ClN4O.C16H16N4O2.C15H15ClN4O.C15H14ClN3O2.C14H13ClN4O2/c1-12(15-10-20-23(11-15)5-6-25-2)21-18(24)17-8-14-7-13(9-19)3-4-16(14)22-17;1-11(13-9-19-22(10-13)5-6-24-2)20-17(23)16-8-12-7-14(18)3-4-15(12)21-16;1-10-13(9-19-22(10)2)17(5-6-17)21-16(23)15-8-11-7-12(18)3-4-14(11)20-15;1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-6-10-2-3-12(21)7-13(10)18-14;1-9(12-5-6-20(2)19-12)17-15(21)14-8-10-7-11(16)3-4-13(10)18-14;1-8(14-7-21-9(2)18-14)17-15(20)13-6-10-5-11(16)3-4-12(10)19-13;1-7(14-17-8(2)19-21-14)16-13(20)12-6-9-5-10(15)3-4-11(9)18-12/h3-4,7-8,10-12,22H,5-6H2,1-2H3,(H,21,24);3-4,7-11,21H,5-6H2,1-2H3,(H,20,23);3-4,7-9,20H,5-6H2,1-2H3,(H,21,23);2-3,6-9,18,21H,4-5H2,1H3,(H,19,22);3-9,18H,1-2H3,(H,17,21);3-8,19H,1-2H3,(H,17,20);3-7,18H,1-2H3,(H,16,20)
InChIKeyHQEFYTHQWPMIID-UHFFFAOYSA-N
MW2220.58 g/mol
LogP20.50
Rot. Bonds27
About 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 158554988) has the molecular formula C112H113Cl5N28O12 and a molecular weight of 2220.58 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
Molecular Properties
| Compound Name | 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158554988 |
| Molecular Formula | C112H113Cl5N28O12 |
| Molecular Weight | 2220.58 g/mol |
| Exact Mass | 2216.75 |
| IUPAC Name | 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide |
| SMILES | CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccn(C)n1.COCCn1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)cn1.COCCn1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1.Cc1c(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cnn1C.Cc1nc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)co1.Cc1noc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1.Cn1cc(C2(NC(=O)c3cc4ccc(O)cc4[nH]3)CC2)cn1 |
| InChI | InChI=1S/C18H19N5O2.C17H19ClN4O2.C17H17ClN4O.C16H16N4O2.C15H15ClN4O.C15H14ClN3O2.C14H13ClN4O2/c1-12(15-10-20-23(11-15)5-6-25-2)21-18(24)17-8-14-7-13(9-19)3-4-16(14)22-17;1-11(13-9-19-22(10-13)5-6-24-2)20-17(23)16-8-12-7-14(18)3-4-15(12)21-16;1-10-13(9-19-22(10)2)17(5-6-17)21-16(23)15-8-11-7-12(18)3-4-14(11)20-15;1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-6-10-2-3-12(21)7-13(10)18-14;1-9(12-5-6-20(2)19-12)17-15(21)14-8-10-7-11(16)3-4-13(10)18-14;1-8(14-7-21-9(2)18-14)17-15(20)13-6-10-5-11(16)3-4-12(10)19-13;1-7(14-17-8(2)19-21-14)16-13(20)12-6-9-5-10(15)3-4-11(9)18-12/h3-4,7-8,10-12,22H,5-6H2,1-2H3,(H,21,24);3-4,7-11,21H,5-6H2,1-2H3,(H,20,23);3-4,7-9,20H,5-6H2,1-2H3,(H,21,23);2-3,6-9,18,21H,4-5H2,1H3,(H,19,22);3-9,18H,1-2H3,(H,17,21);3-8,19H,1-2H3,(H,17,20);3-7,18H,1-2H3,(H,16,20) |
| InChIKey | HQEFYTHQWPMIID-UHFFFAOYSA-N |
| XLogP | 20.50 |
| TPSA | 530.76 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2220.58 |
| LogP ≤ 5 | 20.50 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 158554988) is 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccn(C)n1.COCCn1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)cn1.COCCn1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1.Cc1c(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cnn1C.Cc1nc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)co1.Cc1noc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1.Cn1cc(C2(NC(=O)c3cc4ccc(O)cc4[nH]3)CC2)cn1.
What is the InChIKey of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is HQEFYTHQWPMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.C17H19ClN4O2.C17H17ClN4O.C16H16N4O2.C15H15ClN4O.C15H14ClN3O2.C14H13ClN4O2/c1-12(15-10-20-23(11-15)5-6-25-2)21-18(24)17-8-14-7-13(9-19)3-4-16(14)22-17;1-11(13-9-19-22(10-13)5-6-24-2)20-17(23)16-8-12-7-14(18)3-4-15(12)21-16;1-10-13(9-19-22(10)2)17(5-6-17)21-16(23)15-8-11-7-12(18)3-4-14(11)20-15;1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-6-10-2-3-12(21)7-13(10)18-14;1-9(12-5-6-20(2)19-12)17-15(21)14-8-10-7-11(16)3-4-13(10)18-14;1-8(14-7-21-9(2)18-14)17-15(20)13-6-10-5-11(16)3-4-12(10)19-13;1-7(14-17-8(2)19-21-14)16-13(20)12-6-9-5-10(15)3-4-11(9)18-12/h3-4,7-8,10-12,22H,5-6H2,1-2H3,(H,21,24);3-4,7-11,21H,5-6H2,1-2H3,(H,20,23);3-4,7-9,20H,5-6H2,1-2H3,(H,21,23);2-3,6-9,18,21H,4-5H2,1H3,(H,19,22);3-9,18H,1-2H3,(H,17,21);3-8,19H,1-2H3,(H,17,20);3-7,18H,1-2H3,(H,16,20).
What are the key properties of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 2220.58 g/mol, XLogP of 20.50, 27 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-[1-(2-methoxyethyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158554988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158554988 — identifiers, structure, computed properties (public domain)
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