N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide

C113H115F6N19O12 — CID 161191279

IUPACN-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.CC[C@@H](CO)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.CC[C@H](CO)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1CCC(O)CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCCN1CCCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCCOCCO)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C21H23FN4O.C20H20FN3O2.C18H18FN3O3.3C18H18FN3O2/c22-17-6-4-5-15(13-17)20-18-14-16(7-8-19(18)24-25-20)21(27)23-9-12-26-10-2-1-3-11-26;21-14-3-1-2-12(10-14)19-17-11-13(4-9-18(17)23-24-19)20(26)22-15-5-7-16(25)8-6-15;19-14-3-1-2-12(10-14)17-15-11-13(4-5-16(15)21-22-17)18(24)20-6-8-25-9-7-23;2*1-2-14(10-23)20-18(24)12-6-7-16-15(9-12)17(22-21-16)11-4-3-5-13(19)8-11;1-2-22(8-9-23)18(24)13-6-7-16-15(11-13)17(21-20-16)12-4-3-5-14(19)10-12/h4-8,13-14H,1-3,9-12H2,(H,23,27)(H,24,25);1-4,9-11,15-16,25H,5-8H2,(H,22,26)(H,23,24);1-5,10-11,23H,6-9H2,(H,20,24)(H,21,22);2*3-9,14,23H,2,10H2,1H3,(H,20,24)(H,21,22);3-7,10-11,23H,2,8-9H2,1H3,(H,20,21)/t;;;2*14-;/m...10./s1
InChIKeyUTTHXWBZVWOWOU-BCZHVEMFSA-N
MW2045.27 g/mol
LogP17.66
Rot. Bonds30

About N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide

N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 161191279) has the molecular formula C113H115F6N19O12 and a molecular weight of 2045.27 g/mol. Its IUPAC name is N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide
PubChem CID161191279
Molecular FormulaC113H115F6N19O12
Molecular Weight2045.27 g/mol
Exact Mass2043.89
IUPAC NameN-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.CC[C@@H](CO)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.CC[C@H](CO)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1CCC(O)CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCCN1CCCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCCOCCO)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C21H23FN4O.C20H20FN3O2.C18H18FN3O3.3C18H18FN3O2/c22-17-6-4-5-15(13-17)20-18-14-16(7-8-19(18)24-25-20)21(27)23-9-12-26-10-2-1-3-11-26;21-14-3-1-2-12(10-14)19-17-11-13(4-9-18(17)23-24-19)20(26)22-15-5-7-16(25)8-6-15;19-14-3-1-2-12(10-14)17-15-11-13(4-5-16(15)21-22-17)18(24)20-6-8-25-9-7-23;2*1-2-14(10-23)20-18(24)12-6-7-16-15(9-12)17(22-21-16)11-4-3-5-13(19)8-11;1-2-22(8-9-23)18(24)13-6-7-16-15(11-13)17(21-20-16)12-4-3-5-14(19)10-12/h4-8,13-14H,1-3,9-12H2,(H,23,27)(H,24,25);1-4,9-11,15-16,25H,5-8H2,(H,22,26)(H,23,24);1-5,10-11,23H,6-9H2,(H,20,24)(H,21,22);2*3-9,14,23H,2,10H2,1H3,(H,20,24)(H,21,22);3-7,10-11,23H,2,8-9H2,1H3,(H,20,21)/t;;;2*14-;/m...10./s1
InChIKeyUTTHXWBZVWOWOU-BCZHVEMFSA-N
XLogP17.66
TPSA451.51 Ų
H-Bond Donors16
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002045.27
LogP ≤ 517.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide (CID 161191279) is N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide is CCN(CCO)C(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.CC[C@@H](CO)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.CC[C@H](CO)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1CCC(O)CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCCN1CCCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCCOCCO)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.
What is the InChIKey of N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide?
The InChIKey is UTTHXWBZVWOWOU-BCZHVEMFSA-N. The full InChI is InChI=1S/C21H23FN4O.C20H20FN3O2.C18H18FN3O3.3C18H18FN3O2/c22-17-6-4-5-15(13-17)20-18-14-16(7-8-19(18)24-25-20)21(27)23-9-12-26-10-2-1-3-11-26;21-14-3-1-2-12(10-14)19-17-11-13(4-9-18(17)23-24-19)20(26)22-15-5-7-16(25)8-6-15;19-14-3-1-2-12(10-14)17-15-11-13(4-5-16(15)21-22-17)18(24)20-6-8-25-9-7-23;2*1-2-14(10-23)20-18(24)12-6-7-16-15(9-12)17(22-21-16)11-4-3-5-13(19)8-11;1-2-22(8-9-23)18(24)13-6-7-16-15(11-13)17(21-20-16)12-4-3-5-14(19)10-12/h4-8,13-14H,1-3,9-12H2,(H,23,27)(H,24,25);1-4,9-11,15-16,25H,5-8H2,(H,22,26)(H,23,24);1-5,10-11,23H,6-9H2,(H,20,24)(H,21,22);2*3-9,14,23H,2,10H2,1H3,(H,20,24)(H,21,22);3-7,10-11,23H,2,8-9H2,1H3,(H,20,21)/t;;;2*14-;/m...10./s1.
What are the key properties of N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide?
N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide has a molecular weight of 2045.27 g/mol, XLogP of 17.66, 30 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 161191279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).