N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide

C23H24N8O4 — CID 139348402

IUPACN-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)ccc1OCC(=O)NC1CN(C(C)=O)C1
InChIInChI=1S/C23H24N8O4/c1-13(32)31-10-17(11-31)25-21(33)12-35-19-6-3-14(8-20(19)34-2)22-27-23(30-29-22)26-16-4-5-18-15(7-16)9-24-28-18/h3-9,17H,10-12H2,1-2H3,(H,24,28)(H,25,33)(H2,26,27,29,30)
InChIKeyGCMXLFSKPLUHSF-UHFFFAOYSA-N
MW476.50 g/mol
LogP1.83
Rot. Bonds8

About N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide

N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide (PubChem CID 139348402) has the molecular formula C23H24N8O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide
PubChem CID139348402
Molecular FormulaC23H24N8O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC NameN-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)ccc1OCC(=O)NC1CN(C(C)=O)C1
InChIInChI=1S/C23H24N8O4/c1-13(32)31-10-17(11-31)25-21(33)12-35-19-6-3-14(8-20(19)34-2)22-27-23(30-29-22)26-16-4-5-18-15(7-16)9-24-28-18/h3-9,17H,10-12H2,1-2H3,(H,24,28)(H,25,33)(H2,26,27,29,30)
InChIKeyGCMXLFSKPLUHSF-UHFFFAOYSA-N
XLogP1.83
TPSA150.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide (CID 139348402) is N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)ccc1OCC(=O)NC1CN(C(C)=O)C1.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide?
The InChIKey is GCMXLFSKPLUHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O4/c1-13(32)31-10-17(11-31)25-21(33)12-35-19-6-3-14(8-20(19)34-2)22-27-23(30-29-22)26-16-4-5-18-15(7-16)9-24-28-18/h3-9,17H,10-12H2,1-2H3,(H,24,28)(H,25,33)(H2,26,27,29,30).
What are the key properties of N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide?
N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide has a molecular weight of 476.50 g/mol, XLogP of 1.83, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 139348402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).