N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide

C28H27FN4O3 — CID 129157799

IUPACN-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide
SMILESCCNC(=O)c1ccc2nn(CC3CN(C(=O)c4ccc(Oc5ccc(F)cc5)cc4)C3)cc2c1C
InChIInChI=1S/C28H27FN4O3/c1-3-30-27(34)24-12-13-26-25(18(24)2)17-33(31-26)16-19-14-32(15-19)28(35)20-4-8-22(9-5-20)36-23-10-6-21(29)7-11-23/h4-13,17,19H,3,14-16H2,1-2H3,(H,30,34)
InChIKeyWZVMEZMPJHKDII-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.80
Rot. Bonds7

About N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide

N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide (PubChem CID 129157799) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide
PubChem CID129157799
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC NameN-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide
SMILESCCNC(=O)c1ccc2nn(CC3CN(C(=O)c4ccc(Oc5ccc(F)cc5)cc4)C3)cc2c1C
InChIInChI=1S/C28H27FN4O3/c1-3-30-27(34)24-12-13-26-25(18(24)2)17-33(31-26)16-19-14-32(15-19)28(35)20-4-8-22(9-5-20)36-23-10-6-21(29)7-11-23/h4-13,17,19H,3,14-16H2,1-2H3,(H,30,34)
InChIKeyWZVMEZMPJHKDII-UHFFFAOYSA-N
XLogP4.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide?
The IUPAC name of N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide (CID 129157799) is N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide is CCNC(=O)c1ccc2nn(CC3CN(C(=O)c4ccc(Oc5ccc(F)cc5)cc4)C3)cc2c1C.
What is the InChIKey of N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide?
The InChIKey is WZVMEZMPJHKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-3-30-27(34)24-12-13-26-25(18(24)2)17-33(31-26)16-19-14-32(15-19)28(35)20-4-8-22(9-5-20)36-23-10-6-21(29)7-11-23/h4-13,17,19H,3,14-16H2,1-2H3,(H,30,34).
What are the key properties of N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide?
N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide is sourced from PubChem (CID 129157799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).