N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide

C100H87F3N20O13S2 — CID 157176044

IUPACN-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12
InChIInChI=1S/C24H21FN4O3.C21H17FN4O3.C19H17FN4O2.C19H16N4O3S.C17H16N4O2S/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15;1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13;1-26-18-13(19(25)22-12-4-5-12)6-8-15-17(18)14(23-24-15)7-2-11-3-9-16(20)21-10-11;1-25-18-13(19(24)21-11-12-3-2-9-26-12)4-5-14-17(18)15(23-22-14)6-7-16-20-8-10-27-16;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/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29);2-11H,12H2,1H3,(H,24,27)(H,25,26);2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,21,24)(H,22,23);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b10-7+;7-4+;7-2+;2*7-6+/t20-;;;;/m1..../s1
InChIKeyAOAAXIOVISZCGV-AANFJCIOSA-N
MW1898.05 g/mol
LogP17.52
Rot. Bonds29

About N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide

N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 157176044) has the molecular formula C100H87F3N20O13S2 and a molecular weight of 1898.05 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
PubChem CID157176044
Molecular FormulaC100H87F3N20O13S2
Molecular Weight1898.05 g/mol
Exact Mass1896.62
IUPAC NameN-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12
InChIInChI=1S/C24H21FN4O3.C21H17FN4O3.C19H17FN4O2.C19H16N4O3S.C17H16N4O2S/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15;1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13;1-26-18-13(19(25)22-12-4-5-12)6-8-15-17(18)14(23-24-15)7-2-11-3-9-16(20)21-10-11;1-25-18-13(19(24)21-11-12-3-2-9-26-12)4-5-14-17(18)15(23-22-14)6-7-16-20-8-10-27-16;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/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29);2-11H,12H2,1H3,(H,24,27)(H,25,26);2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,21,24)(H,22,23);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b10-7+;7-4+;7-2+;2*7-6+/t20-;;;;/m1..../s1
InChIKeyAOAAXIOVISZCGV-AANFJCIOSA-N
XLogP17.52
TPSA446.01 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms138
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001898.05
LogP ≤ 517.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide (CID 157176044) is N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The InChIKey is AOAAXIOVISZCGV-AANFJCIOSA-N. The full InChI is InChI=1S/C24H21FN4O3.C21H17FN4O3.C19H17FN4O2.C19H16N4O3S.C17H16N4O2S/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15;1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13;1-26-18-13(19(25)22-12-4-5-12)6-8-15-17(18)14(23-24-15)7-2-11-3-9-16(20)21-10-11;1-25-18-13(19(24)21-11-12-3-2-9-26-12)4-5-14-17(18)15(23-22-14)6-7-16-20-8-10-27-16;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/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29);2-11H,12H2,1H3,(H,24,27)(H,25,26);2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,21,24)(H,22,23);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b10-7+;7-4+;7-2+;2*7-6+/t20-;;;;/m1..../s1.
What are the key properties of N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 1898.05 g/mol, XLogP of 17.52, 29 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)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-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 157176044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).