5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid

C88H73N19O13 — CID 157227548

IUPAC5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid
SMILESCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.O=C(Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)c1ccco1.O=C(Nc1ccccc1)C1=NCc2ccc(C(=O)O)cc21.O=C(Nc1ccccc1)c1n[nH]c2ccc(NC(=O)C3CC3)cc12.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)N1
InChIInChI=1S/C19H17N5O3.C19H14N4O3.C18H16N4O2.C16H14N4O2.C16H12N2O3/c25-16-9-8-15(22-16)18(26)21-12-6-7-14-13(10-12)17(24-23-14)19(27)20-11-4-2-1-3-5-11;24-18(16-7-4-10-26-16)21-13-8-9-15-14(11-13)17(23-22-15)19(25)20-12-5-2-1-3-6-12;23-17(11-6-7-11)20-13-8-9-15-14(10-13)16(22-21-15)18(24)19-12-4-2-1-3-5-12;1-10(21)17-12-7-8-14-13(9-12)15(20-19-14)16(22)18-11-5-3-2-4-6-11;19-15(18-12-4-2-1-3-5-12)14-13-8-10(16(20)21)6-7-11(13)9-17-14/h1-7,10,15H,8-9H2,(H,20,27)(H,21,26)(H,22,25)(H,23,24);1-11H,(H,20,25)(H,21,24)(H,22,23);1-5,8-11H,6-7H2,(H,19,24)(H,20,23)(H,21,22);2-9H,1H3,(H,17,21)(H,18,22)(H,19,20);1-8H,9H2,(H,18,19)(H,20,21)/t15-;;;;/m0..../s1
InChIKeyATSCZIOVLJBFQI-FWELSTJRSA-N
MW1604.67 g/mol
LogP13.96
Rot. Bonds18

About 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid

5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid (PubChem CID 157227548) has the molecular formula C88H73N19O13 and a molecular weight of 1604.67 g/mol. Its IUPAC name is 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid
PubChem CID157227548
Molecular FormulaC88H73N19O13
Molecular Weight1604.67 g/mol
Exact Mass1603.56
IUPAC Name5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid
SMILESCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.O=C(Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)c1ccco1.O=C(Nc1ccccc1)C1=NCc2ccc(C(=O)O)cc21.O=C(Nc1ccccc1)c1n[nH]c2ccc(NC(=O)C3CC3)cc12.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)N1
InChIInChI=1S/C19H17N5O3.C19H14N4O3.C18H16N4O2.C16H14N4O2.C16H12N2O3/c25-16-9-8-15(22-16)18(26)21-12-6-7-14-13(10-12)17(24-23-14)19(27)20-11-4-2-1-3-5-11;24-18(16-7-4-10-26-16)21-13-8-9-15-14(11-13)17(23-22-15)19(25)20-12-5-2-1-3-6-12;23-17(11-6-7-11)20-13-8-9-15-14(10-13)16(22-21-15)18(24)19-12-4-2-1-3-5-12;1-10(21)17-12-7-8-14-13(9-12)15(20-19-14)16(22)18-11-5-3-2-4-6-11;19-15(18-12-4-2-1-3-5-12)14-13-8-10(16(20)21)6-7-11(13)9-17-14/h1-7,10,15H,8-9H2,(H,20,27)(H,21,26)(H,22,25)(H,23,24);1-11H,(H,20,25)(H,21,24)(H,22,23);1-5,8-11H,6-7H2,(H,19,24)(H,20,23)(H,21,22);2-9H,1H3,(H,17,21)(H,18,22)(H,19,20);1-8H,9H2,(H,18,19)(H,20,21)/t15-;;;;/m0..../s1
InChIKeyATSCZIOVLJBFQI-FWELSTJRSA-N
XLogP13.96
TPSA468.52 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001604.67
LogP ≤ 513.96
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid?
The IUPAC name of 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid (CID 157227548) is 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid.
What is the SMILES notation for 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid?
The canonical SMILES for 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid is CC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.O=C(Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)c1ccco1.O=C(Nc1ccccc1)C1=NCc2ccc(C(=O)O)cc21.O=C(Nc1ccccc1)c1n[nH]c2ccc(NC(=O)C3CC3)cc12.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)N1.
What is the InChIKey of 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid?
The InChIKey is ATSCZIOVLJBFQI-FWELSTJRSA-N. The full InChI is InChI=1S/C19H17N5O3.C19H14N4O3.C18H16N4O2.C16H14N4O2.C16H12N2O3/c25-16-9-8-15(22-16)18(26)21-12-6-7-14-13(10-12)17(24-23-14)19(27)20-11-4-2-1-3-5-11;24-18(16-7-4-10-26-16)21-13-8-9-15-14(11-13)17(23-22-15)19(25)20-12-5-2-1-3-6-12;23-17(11-6-7-11)20-13-8-9-15-14(10-13)16(22-21-15)18(24)19-12-4-2-1-3-5-12;1-10(21)17-12-7-8-14-13(9-12)15(20-19-14)16(22)18-11-5-3-2-4-6-11;19-15(18-12-4-2-1-3-5-12)14-13-8-10(16(20)21)6-7-11(13)9-17-14/h1-7,10,15H,8-9H2,(H,20,27)(H,21,26)(H,22,25)(H,23,24);1-11H,(H,20,25)(H,21,24)(H,22,23);1-5,8-11H,6-7H2,(H,19,24)(H,20,23)(H,21,22);2-9H,1H3,(H,17,21)(H,18,22)(H,19,20);1-8H,9H2,(H,18,19)(H,20,21)/t15-;;;;/m0..../s1.
What are the key properties of 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid?
5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid has a molecular weight of 1604.67 g/mol, XLogP of 13.96, 18 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-phenyl-1H-indazole-3-carboxamide;5-(cyclopropanecarbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyl-1H-indazole-3-carboxamide;3-(phenylcarbamoyl)-1H-isoindole-5-carboxylic acid is sourced from PubChem (CID 157227548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).