N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

C23H16N6O2 — CID 58396502

IUPACN-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cccc(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C23H16N6O2/c30-22(28-17-7-6-16-13-27-29-21(16)12-17)15-3-1-4-18(11-15)31-23-19(5-2-9-25-23)20-8-10-24-14-26-20/h1-14H,(H,27,29)(H,28,30)
InChIKeyBWUPOHUBHVAXCK-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.46
Rot. Bonds5

About N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58396502) has the molecular formula C23H16N6O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
PubChem CID58396502
Molecular FormulaC23H16N6O2
Molecular Weight408.42 g/mol
Exact Mass408.13
IUPAC NameN-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cccc(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C23H16N6O2/c30-22(28-17-7-6-16-13-27-29-21(16)12-17)15-3-1-4-18(11-15)31-23-19(5-2-9-25-23)20-8-10-24-14-26-20/h1-14H,(H,27,29)(H,28,30)
InChIKeyBWUPOHUBHVAXCK-UHFFFAOYSA-N
XLogP4.46
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58397243
N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58396487
4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58397127
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 46846309
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396999
3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587740
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
CID 58588466
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396804
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588283

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58396502) is N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cccc(Oc2ncccc2-c2ccncn2)c1.
What is the InChIKey of N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is BWUPOHUBHVAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O2/c30-22(28-17-7-6-16-13-27-29-21(16)12-17)15-3-1-4-18(11-15)31-23-19(5-2-9-25-23)20-8-10-24-14-26-20/h1-14H,(H,27,29)(H,28,30).
What are the key properties of N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 408.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58396502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).