N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide

C24H22N4O3 — CID 72564526

IUPACN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)c2ccccc2)ccc2[nH]nc(C=Cc3cccnc3)c12
InChIInChI=1S/C24H22N4O3/c1-31-23-18(24(30)26-21(15-29)17-7-3-2-4-8-17)10-12-20-22(23)19(27-28-20)11-9-16-6-5-13-25-14-16/h2-14,21,29H,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyRRLZOYLKYYKISM-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.60
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide

N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide (PubChem CID 72564526) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide
PubChem CID72564526
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)c2ccccc2)ccc2[nH]nc(C=Cc3cccnc3)c12
InChIInChI=1S/C24H22N4O3/c1-31-23-18(24(30)26-21(15-29)17-7-3-2-4-8-17)10-12-20-22(23)19(27-28-20)11-9-16-6-5-13-25-14-16/h2-14,21,29H,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyRRLZOYLKYYKISM-UHFFFAOYSA-N
XLogP3.60
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777934
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777943
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(5-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777949
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
6-hydroxy-N-(3-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145966299
6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-N-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 145970991
N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9910658
5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 154655045
((2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl)(6-methoxy-1H-indol-5-yl)methanone
CID 10091017
(4-Benzyl-piperazin-1-yl)-(6-methoxy-1H-indol-5-yl)-methanone
CID 25124305

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide (CID 72564526) is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NC(CO)c2ccccc2)ccc2[nH]nc(C=Cc3cccnc3)c12.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide?
The InChIKey is RRLZOYLKYYKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-23-18(24(30)26-21(15-29)17-7-3-2-4-8-17)10-12-20-22(23)19(27-28-20)11-9-16-6-5-13-25-14-16/h2-14,21,29H,15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide?
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72564526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).