3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide

C24H21FN4O3 — CID 91021989

IUPAC3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12
InChIInChI=1S/C24H21FN4O3/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29)/t20-/m1/s1
InChIKeySPQOJLOPIFWGLY-HXUWFJFHSA-N
MW432.46 g/mol
LogP3.74
Rot. Bonds7

About 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide

3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 91021989) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID91021989
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12
InChIInChI=1S/C24H21FN4O3/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29)/t20-/m1/s1
InChIKeySPQOJLOPIFWGLY-HXUWFJFHSA-N
XLogP3.74
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
((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
N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047159
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047563
N-(2-phenylmethoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047620
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(2-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714651
N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828937
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828941
3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide
CID 66829104
N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
CID 66829157

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide (CID 91021989) is 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12.
What is the InChIKey of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is SPQOJLOPIFWGLY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29)/t20-/m1/s1.
What are the key properties of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 91021989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).