3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine

C64H66ClF5N16O9 — CID 172989106

IUPAC3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine
SMILESC#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CN1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(F)nc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCN(C)CC5)nc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(F)nc1
InChIInChI=1S/C23H25FN6O3.C18H14F2N4O3.C12H11FN2O2.C6H4ClFN2O.C5H12N2/c1-29-5-7-30(8-6-29)22-4-3-15(14-25-22)18-12-21(33-28-18)23-16-11-17(24)20(32-10-9-31-2)13-19(16)26-27-23;1-25-4-5-26-15-8-14-11(6-12(15)19)18(23-22-14)16-7-13(24-27-16)10-2-3-17(20)21-9-10;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;7-6(10-11)4-1-2-5(8)9-3-4;1-7-4-2-6-3-5-7/h3-4,11-14H,5-10H2,1-2H3,(H,26,27);2-3,6-9H,4-5H2,1H3,(H,22,23);1,6-7H,4-5H2,2H3,(H,14,15);1-3,11H;6H,2-5H2,1H3/b;;;10-6-;
InChIKeyKSACHTBLFWCDLR-ZXEHAEIQSA-N
MW1333.78 g/mol
LogP9.60
Rot. Bonds18

About 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine

3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine (PubChem CID 172989106) has the molecular formula C64H66ClF5N16O9 and a molecular weight of 1333.78 g/mol. Its IUPAC name is 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine.

Molecular Properties

Compound Name3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine
PubChem CID172989106
Molecular FormulaC64H66ClF5N16O9
Molecular Weight1333.78 g/mol
Exact Mass1332.48
IUPAC Name3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine
SMILESC#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CN1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(F)nc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCN(C)CC5)nc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(F)nc1
InChIInChI=1S/C23H25FN6O3.C18H14F2N4O3.C12H11FN2O2.C6H4ClFN2O.C5H12N2/c1-29-5-7-30(8-6-29)22-4-3-15(14-25-22)18-12-21(33-28-18)23-16-11-17(24)20(32-10-9-31-2)13-19(16)26-27-23;1-25-4-5-26-15-8-14-11(6-12(15)19)18(23-22-14)16-7-13(24-27-16)10-2-3-17(20)21-9-10;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;7-6(10-11)4-1-2-5(8)9-3-4;1-7-4-2-6-3-5-7/h3-4,11-14H,5-10H2,1-2H3,(H,26,27);2-3,6-9H,4-5H2,1H3,(H,22,23);1,6-7H,4-5H2,2H3,(H,14,15);1-3,11H;6H,2-5H2,1H3/b;;;10-6-;
InChIKeyKSACHTBLFWCDLR-ZXEHAEIQSA-N
XLogP9.60
TPSA286.49 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.78
LogP ≤ 59.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole
CID 154679514
4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
CID 154679547
4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine
CID 154679788
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole
CID 155067276
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole
CID 155067361
2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol
CID 155067372
[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 155067485
(3Z)-6-ethoxy-N-hydroxypyridine-3-carboximidoyl chloride;3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole
CID 172947444
(3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine
CID 172962456

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine?
The IUPAC name of 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine (CID 172989106) is 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine.
What is the SMILES notation for 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine?
The canonical SMILES for 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine is C#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CN1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(F)nc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCN(C)CC5)nc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(F)nc1.
What is the InChIKey of 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine?
The InChIKey is KSACHTBLFWCDLR-ZXEHAEIQSA-N. The full InChI is InChI=1S/C23H25FN6O3.C18H14F2N4O3.C12H11FN2O2.C6H4ClFN2O.C5H12N2/c1-29-5-7-30(8-6-29)22-4-3-15(14-25-22)18-12-21(33-28-18)23-16-11-17(24)20(32-10-9-31-2)13-19(16)26-27-23;1-25-4-5-26-15-8-14-11(6-12(15)19)18(23-22-14)16-7-13(24-27-16)10-2-3-17(20)21-9-10;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;7-6(10-11)4-1-2-5(8)9-3-4;1-7-4-2-6-3-5-7/h3-4,11-14H,5-10H2,1-2H3,(H,26,27);2-3,6-9H,4-5H2,1H3,(H,22,23);1,6-7H,4-5H2,2H3,(H,14,15);1-3,11H;6H,2-5H2,1H3/b;;;10-6-;.
What are the key properties of 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine?
3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine has a molecular weight of 1333.78 g/mol, XLogP of 9.60, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;(3Z)-6-fluoro-N-hydroxypyridine-3-carboximidoyl chloride;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-fluoro-3-pyridinyl)-1,2-oxazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-oxazole;1-methylpiperazine is sourced from PubChem (CID 172989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).