N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide

C21H26FN5O4 — CID 140523209

IUPACN-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCON=C1CCCc2[nH]nc(C(=O)Nc3ccc(OCCN4CCOCC4)c(F)c3)c21
InChIInChI=1S/C21H26FN5O4/c1-29-26-17-4-2-3-16-19(17)20(25-24-16)21(28)23-14-5-6-18(15(22)13-14)31-12-9-27-7-10-30-11-8-27/h5-6,13H,2-4,7-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyFNTWRNQFNSEIDY-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.20
Rot. Bonds7

About N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide

N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 140523209) has the molecular formula C21H26FN5O4 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID140523209
Molecular FormulaC21H26FN5O4
Molecular Weight431.47 g/mol
Exact Mass431.20
IUPAC NameN-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCON=C1CCCc2[nH]nc(C(=O)Nc3ccc(OCCN4CCOCC4)c(F)c3)c21
InChIInChI=1S/C21H26FN5O4/c1-29-26-17-4-2-3-16-19(17)20(25-24-16)21(28)23-14-5-6-18(15(22)13-14)31-12-9-27-7-10-30-11-8-27/h5-6,13H,2-4,7-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyFNTWRNQFNSEIDY-UHFFFAOYSA-N
XLogP2.20
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
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CID 141436174
N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
CID 122218723
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
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3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
2-(2-fluorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68849489
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
CID 59173856
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CID 75502190
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
2-fluoro-N-[3-fluoro-4-[5-methyl-6-(2-morpholin-4-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-5-methylbenzamide;hydrochloride
CID 172696293
4-bromo-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide (CID 140523209) is N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide is CON=C1CCCc2[nH]nc(C(=O)Nc3ccc(OCCN4CCOCC4)c(F)c3)c21.
What is the InChIKey of N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is FNTWRNQFNSEIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O4/c1-29-26-17-4-2-3-16-19(17)20(25-24-16)21(28)23-14-5-6-18(15(22)13-14)31-12-9-27-7-10-30-11-8-27/h5-6,13H,2-4,7-12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide?
N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 140523209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).