2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

C24H20N6O2 — CID 22479879

IUPAC2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H20N6O2/c1-15(32-19-8-3-2-4-9-19)24(31)27-18-7-5-6-16(12-18)22-20-13-17(23-25-14-26-30-23)10-11-21(20)28-29-22/h2-15H,1H3,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyWGLDYJDMRXWXMY-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.42
Rot. Bonds6

About 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (PubChem CID 22479879) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
PubChem CID22479879
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H20N6O2/c1-15(32-19-8-3-2-4-9-19)24(31)27-18-7-5-6-16(12-18)22-20-13-17(23-25-14-26-30-23)10-11-21(20)28-29-22/h2-15H,1H3,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyWGLDYJDMRXWXMY-UHFFFAOYSA-N
XLogP4.42
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 42958308
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 59982483
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide
CID 137088107

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (CID 22479879) is 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The InChIKey is WGLDYJDMRXWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-15(32-19-8-3-2-4-9-19)24(31)27-18-7-5-6-16(12-18)22-20-13-17(23-25-14-26-30-23)10-11-21(20)28-29-22/h2-15H,1H3,(H,27,31)(H,28,29)(H,25,26,30).
What are the key properties of 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide has a molecular weight of 424.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 22479879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).