5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide

C18H17IN4O2 — CID 11744370

IUPAC5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C18H17IN4O2/c19-12-1-6-16-15(11-12)17(22-21-16)18(24)20-13-2-4-14(5-3-13)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22)
InChIKeyWZXIRWFVTVBHAJ-UHFFFAOYSA-N
MW448.26 g/mol
LogP3.26
Rot. Bonds3

About 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide

5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide (PubChem CID 11744370) has the molecular formula C18H17IN4O2 and a molecular weight of 448.26 g/mol. Its IUPAC name is 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
PubChem CID11744370
Molecular FormulaC18H17IN4O2
Molecular Weight448.26 g/mol
Exact Mass448.04
IUPAC Name5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C18H17IN4O2/c19-12-1-6-16-15(11-12)17(22-21-16)18(24)20-13-2-4-14(5-3-13)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22)
InChIKeyWZXIRWFVTVBHAJ-UHFFFAOYSA-N
XLogP3.26
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide
CID 89450970
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450840
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
CID 175258856
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 175258867
N-(4-morpholin-4-ylphenyl)-4-(prop-2-enoylamino)-1H-indazole-3-carboxamide
CID 175258896
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89469150
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451187
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
CID 58578011

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide (CID 11744370) is 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]c2ccc(I)cc12.
What is the InChIKey of 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is WZXIRWFVTVBHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN4O2/c19-12-1-6-16-15(11-12)17(22-21-16)18(24)20-13-2-4-14(5-3-13)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22).
What are the key properties of 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 448.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11744370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).