N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide

C25H24N6O4 — CID 118173142

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)o1
InChIInChI=1S/C25H24N6O4/c1-17-26-14-22(35-17)24(33)27-20-7-8-21-19(13-20)15-31(28-21)16-23(32)29-9-11-30(12-10-29)25(34)18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3,(H,27,33)
InChIKeyLEKRYQJBPMHIIH-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 118173142) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID118173142
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)o1
InChIInChI=1S/C25H24N6O4/c1-17-26-14-22(35-17)24(33)27-20-7-8-21-19(13-20)15-31(28-21)16-23(32)29-9-11-30(12-10-29)25(34)18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3,(H,27,33)
InChIKeyLEKRYQJBPMHIIH-UHFFFAOYSA-N
XLogP2.57
TPSA113.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 118173142) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)o1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is LEKRYQJBPMHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-17-26-14-22(35-17)24(33)27-20-7-8-21-19(13-20)15-31(28-21)16-23(32)29-9-11-30(12-10-29)25(34)18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3,(H,27,33).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118173142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).