1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide

C154H139N23O14S — CID 159885613

IUPAC1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(C#N)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(C)nc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1cccc(C#N)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccccc1C#N)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1cccnc1C)c1ccccc1
InChIInChI=1S/3C26H22N4O2.C26H25N3O4S.2C25H24N4O2/c1-3-23(19-9-5-4-6-10-19)28-25(31)20-12-13-24-22(15-20)17(2)29-30(24)26(32)21-11-7-8-18(14-21)16-27;1-3-23(18-9-5-4-6-10-18)28-25(31)19-13-14-24-22(15-19)17(2)29-30(24)26(32)21-12-8-7-11-20(21)16-27;1-3-23(19-7-5-4-6-8-19)28-25(31)21-13-14-24-22(15-21)17(2)29-30(24)26(32)20-11-9-18(16-27)10-12-20;1-4-23(18-8-6-5-7-9-18)27-25(30)20-12-15-24-22(16-20)17(2)28-29(24)26(31)19-10-13-21(14-11-19)34(3,32)33;1-4-22(18-9-6-5-7-10-18)27-24(30)19-12-13-23-21(15-19)17(3)28-29(23)25(31)20-11-8-14-26-16(20)2;1-4-22(18-8-6-5-7-9-18)27-24(30)19-12-13-23-21(14-19)17(3)28-29(23)25(31)20-11-10-16(2)26-15-20/h3*4-15,23H,3H2,1-2H3,(H,28,31);5-16,23H,4H2,1-3H3,(H,27,30);2*5-15,22H,4H2,1-3H3,(H,27,30)
InChIKeyNUCCRXWDBLRPII-UHFFFAOYSA-N
MW2568.02 g/mol
LogP27.91
Rot. Bonds31

About 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide

1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide (PubChem CID 159885613) has the molecular formula C154H139N23O14S and a molecular weight of 2568.02 g/mol. Its IUPAC name is 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide
PubChem CID159885613
Molecular FormulaC154H139N23O14S
Molecular Weight2568.02 g/mol
Exact Mass2566.06
IUPAC Name1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(C#N)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(C)nc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1cccc(C#N)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccccc1C#N)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1cccnc1C)c1ccccc1
InChIInChI=1S/3C26H22N4O2.C26H25N3O4S.2C25H24N4O2/c1-3-23(19-9-5-4-6-10-19)28-25(31)20-12-13-24-22(15-20)17(2)29-30(24)26(32)21-11-7-8-18(14-21)16-27;1-3-23(18-9-5-4-6-10-18)28-25(31)19-13-14-24-22(15-19)17(2)29-30(24)26(32)21-12-8-7-11-20(21)16-27;1-3-23(19-7-5-4-6-8-19)28-25(31)21-13-14-24-22(15-21)17(2)29-30(24)26(32)20-11-9-18(16-27)10-12-20;1-4-23(18-8-6-5-7-9-18)27-25(30)20-12-15-24-22(16-20)17(2)28-29(24)26(31)19-10-13-21(14-11-19)34(3,32)33;1-4-22(18-9-6-5-7-10-18)27-24(30)19-12-13-23-21(15-19)17(3)28-29(23)25(31)20-11-8-14-26-16(20)2;1-4-22(18-8-6-5-7-9-18)27-24(30)19-12-13-23-21(14-19)17(3)28-29(23)25(31)20-11-10-16(2)26-15-20/h3*4-15,23H,3H2,1-2H3,(H,28,31);5-16,23H,4H2,1-3H3,(H,27,30);2*5-15,22H,4H2,1-3H3,(H,27,30)
InChIKeyNUCCRXWDBLRPII-UHFFFAOYSA-N
XLogP27.91
TPSA515.23 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.02
LogP ≤ 527.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
The IUPAC name of 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide (CID 159885613) is 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide.
What is the SMILES notation for 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
The canonical SMILES for 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(C#N)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(C)nc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1cccc(C#N)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1ccccc1C#N)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)c1cccnc1C)c1ccccc1.
What is the InChIKey of 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
The InChIKey is NUCCRXWDBLRPII-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H22N4O2.C26H25N3O4S.2C25H24N4O2/c1-3-23(19-9-5-4-6-10-19)28-25(31)20-12-13-24-22(15-20)17(2)29-30(24)26(32)21-11-7-8-18(14-21)16-27;1-3-23(18-9-5-4-6-10-18)28-25(31)19-13-14-24-22(15-19)17(2)29-30(24)26(32)21-12-8-7-11-20(21)16-27;1-3-23(19-7-5-4-6-8-19)28-25(31)21-13-14-24-22(15-21)17(2)29-30(24)26(32)20-11-9-18(16-27)10-12-20;1-4-23(18-8-6-5-7-9-18)27-25(30)20-12-15-24-22(16-20)17(2)28-29(24)26(31)19-10-13-21(14-11-19)34(3,32)33;1-4-22(18-9-6-5-7-10-18)27-24(30)19-12-13-23-21(15-19)17(3)28-29(23)25(31)20-11-8-14-26-16(20)2;1-4-22(18-8-6-5-7-9-18)27-24(30)19-12-13-23-21(14-19)17(3)28-29(23)25(31)20-11-10-16(2)26-15-20/h3*4-15,23H,3H2,1-2H3,(H,28,31);5-16,23H,4H2,1-3H3,(H,27,30);2*5-15,22H,4H2,1-3H3,(H,27,30).
What are the key properties of 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide has a molecular weight of 2568.02 g/mol, XLogP of 27.91, 31 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(3-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;1-(4-cyanobenzoyl)-3-methyl-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(2-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(6-methylpyridine-3-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide;3-methyl-1-(4-methylsulfonylbenzoyl)-N-(1-phenylpropyl)indazole-5-carboxamide is sourced from PubChem (CID 159885613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).