N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide

C21H23N5O3 — CID 137239962

IUPACN-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide
SMILESCOc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1
InChIInChI=1S/C21H23N5O3/c1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26/h5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyYBTHNVCIDKZBCM-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.25
Rot. Bonds4

About N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide

N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide (PubChem CID 137239962) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide
PubChem CID137239962
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide
SMILESCOc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1
InChIInChI=1S/C21H23N5O3/c1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26/h5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyYBTHNVCIDKZBCM-UHFFFAOYSA-N
XLogP3.25
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-[(1-{3-[(phenylcarbonyl)amino]propyl}piperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 71714698
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
5-methoxy-N-[[1-[2-(3-methylcyclohexyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 89777804
N-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 89777931
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxyphenyl)-1H-indazole-3-carboxamide
CID 89777950
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 156018656
3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
CID 22479726
N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 146208909
N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146208999
3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide
CID 146209074
N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide
CID 146209161
(4-Fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone
CID 170530614

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide (CID 137239962) is N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide is COc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1.
What is the InChIKey of N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide?
The InChIKey is YBTHNVCIDKZBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26/h5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide?
N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide has a molecular weight of 393.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide is sourced from PubChem (CID 137239962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).