N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C25H27N7O3 — CID 52519497

IUPACN-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)NC(=O)c4n[nH]c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H27N7O3/c1-16-7-9-18(10-8-16)23-27-21(35-30-23)15-31-11-13-32(14-12-31)25(34)17(2)26-24(33)22-19-5-3-4-6-20(19)28-29-22/h3-10,17H,11-15H2,1-2H3,(H,26,33)(H,28,29)/t17-/m1/s1
InChIKeyYFXSILKXRHDIJX-QGZVFWFLSA-N
MW473.54 g/mol
LogP2.38
Rot. Bonds6

About N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 52519497) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID52519497
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)NC(=O)c4n[nH]c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H27N7O3/c1-16-7-9-18(10-8-16)23-27-21(35-30-23)15-31-11-13-32(14-12-31)25(34)17(2)26-24(33)22-19-5-3-4-6-20(19)28-29-22/h3-10,17H,11-15H2,1-2H3,(H,26,33)(H,28,29)/t17-/m1/s1
InChIKeyYFXSILKXRHDIJX-QGZVFWFLSA-N
XLogP2.38
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

1-[1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 134042168
N-[1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 42934405
4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 24611509
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78859011
(2S)-2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 25488740
1H-indazol-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610035
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 55746589
(3-methyl-1-benzothiophen-2-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24611549
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 53148682
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 46412874
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
2-amino-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119840001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 52519497) is N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)NC(=O)c4n[nH]c5ccccc45)CC3)n2)cc1.
What is the InChIKey of N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is YFXSILKXRHDIJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16-7-9-18(10-8-16)23-27-21(35-30-23)15-31-11-13-32(14-12-31)25(34)17(2)26-24(33)22-19-5-3-4-6-20(19)28-29-22/h3-10,17H,11-15H2,1-2H3,(H,26,33)(H,28,29)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 52519497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).