N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C22H23N7O2 — CID 20789103

IUPACN-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H23N7O2/c30-22(23-6-7-29-8-10-31-11-9-29)17-3-1-2-15(12-17)20-18-13-16(21-24-14-25-28-21)4-5-19(18)26-27-20/h1-5,12-14H,6-11H2,(H,23,30)(H,26,27)(H,24,25,28)
InChIKeyITKBAZZYSKEEMA-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.08
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789103) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789103
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H23N7O2/c30-22(23-6-7-29-8-10-31-11-9-29)17-3-1-2-15(12-17)20-18-13-16(21-24-14-25-28-21)4-5-19(18)26-27-20/h1-5,12-14H,6-11H2,(H,23,30)(H,26,27)(H,24,25,28)
InChIKeyITKBAZZYSKEEMA-UHFFFAOYSA-N
XLogP2.08
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789103) is N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NCCN1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is ITKBAZZYSKEEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c30-22(23-6-7-29-8-10-31-11-9-29)17-3-1-2-15(12-17)20-18-13-16(21-24-14-25-28-21)4-5-19(18)26-27-20/h1-5,12-14H,6-11H2,(H,23,30)(H,26,27)(H,24,25,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).