N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide

C78H71N13O13S — CID 160910197

IUPACN-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccoc3)c12
InChIInChI=1S/C23H21N3O4.C20H17N3O4.C18H17N3O3.C17H16N4O2S/c1-29-22-17(23(28)24-20(13-27)16-5-3-2-4-6-16)8-10-19-21(22)18(25-26-19)9-7-15-11-12-30-14-15;1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13;1-23-17-13(18(22)19-12-3-4-12)5-7-15-16(17)14(20-21-15)6-2-11-8-9-24-10-11;1-23-16-11(17(22)19-10-2-3-10)4-5-12-15(16)13(21-20-12)6-7-14-18-8-9-24-14/h2-12,14,20,27H,13H2,1H3,(H,24,28)(H,25,26);2-10,12H,11H2,1H3,(H,21,24)(H,22,23);2,5-10,12H,3-4H2,1H3,(H,19,22)(H,20,21);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b9-7+;6-4+;6-2+;7-6+/t20-;;;/m1.../s1
InChIKeySQRFNXYNQCUZSB-ZEAPWYCWSA-N
MW1430.57 g/mol
LogP13.97
Rot. Bonds23

About N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide

N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 160910197) has the molecular formula C78H71N13O13S and a molecular weight of 1430.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID160910197
Molecular FormulaC78H71N13O13S
Molecular Weight1430.57 g/mol
Exact Mass1429.50
IUPAC NameN-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccoc3)c12
InChIInChI=1S/C23H21N3O4.C20H17N3O4.C18H17N3O3.C17H16N4O2S/c1-29-22-17(23(28)24-20(13-27)16-5-3-2-4-6-16)8-10-19-21(22)18(25-26-19)9-7-15-11-12-30-14-15;1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13;1-23-17-13(18(22)19-12-3-4-12)5-7-15-16(17)14(20-21-15)6-2-11-8-9-24-10-11;1-23-16-11(17(22)19-10-2-3-10)4-5-12-15(16)13(21-20-12)6-7-14-18-8-9-24-14/h2-12,14,20,27H,13H2,1H3,(H,24,28)(H,25,26);2-10,12H,11H2,1H3,(H,21,24)(H,22,23);2,5-10,12H,3-4H2,1H3,(H,19,22)(H,20,21);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b9-7+;6-4+;6-2+;7-6+/t20-;;;/m1.../s1
InChIKeySQRFNXYNQCUZSB-ZEAPWYCWSA-N
XLogP13.97
TPSA353.72 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms105
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001430.57
LogP ≤ 513.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide (CID 160910197) is N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccoc3)c12.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is SQRFNXYNQCUZSB-ZEAPWYCWSA-N. The full InChI is InChI=1S/C23H21N3O4.C20H17N3O4.C18H17N3O3.C17H16N4O2S/c1-29-22-17(23(28)24-20(13-27)16-5-3-2-4-6-16)8-10-19-21(22)18(25-26-19)9-7-15-11-12-30-14-15;1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13;1-23-17-13(18(22)19-12-3-4-12)5-7-15-16(17)14(20-21-15)6-2-11-8-9-24-10-11;1-23-16-11(17(22)19-10-2-3-10)4-5-12-15(16)13(21-20-12)6-7-14-18-8-9-24-14/h2-12,14,20,27H,13H2,1H3,(H,24,28)(H,25,26);2-10,12H,11H2,1H3,(H,21,24)(H,22,23);2,5-10,12H,3-4H2,1H3,(H,19,22)(H,20,21);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b9-7+;6-4+;6-2+;7-6+/t20-;;;/m1.../s1.
What are the key properties of N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 1430.57 g/mol, XLogP of 13.97, 23 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 160910197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).