N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide

C19H23N7O2 — CID 143855615

IUPACN-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(CCCC#N)c2ccccc12)c1nnc(N)o1
InChIInChI=1S/C19H23N7O2/c1-19(2,3)15(17-23-24-18(21)28-17)22-16(27)14-12-8-4-5-9-13(12)26(25-14)11-7-6-10-20/h4-5,8-9,15H,6-7,11H2,1-3H3,(H2,21,24)(H,22,27)
InChIKeyXJLKBHKYXXEUPF-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide

N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide (PubChem CID 143855615) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide
PubChem CID143855615
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(CCCC#N)c2ccccc12)c1nnc(N)o1
InChIInChI=1S/C19H23N7O2/c1-19(2,3)15(17-23-24-18(21)28-17)22-16(27)14-12-8-4-5-9-13(12)26(25-14)11-7-6-10-20/h4-5,8-9,15H,6-7,11H2,1-3H3,(H2,21,24)(H,22,27)
InChIKeyXJLKBHKYXXEUPF-UHFFFAOYSA-N
XLogP2.82
TPSA135.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[[(2S)-2-[[1-(4-cyanobutyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 68897344
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
CID 172871875
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)indazole-3-carboxamide
CID 132988664
3-[[(2S)-2-[[1-(4-cyanobutyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 68893087
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
4-[3-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]indazol-1-yl]butanoic acid
CID 165361556
ethyl 5-[1-[[1-(4-aminobutyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 70969748
1-(4-cyanobutyl)-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 68895704
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-1-pent-4-ynylindazole-3-carboxamide
CID 169175694
methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
CID 102333976
3-(3-acetylindazol-1-yl)propanenitrile
CID 132942081
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoro-4-hydroxypentyl)indazole-3-carboxamide
CID 118964467

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide?
The IUPAC name of N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide (CID 143855615) is N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide is CC(C)(C)C(NC(=O)c1nn(CCCC#N)c2ccccc12)c1nnc(N)o1.
What is the InChIKey of N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide?
The InChIKey is XJLKBHKYXXEUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-19(2,3)15(17-23-24-18(21)28-17)22-16(27)14-12-8-4-5-9-13(12)26(25-14)11-7-6-10-20/h4-5,8-9,15H,6-7,11H2,1-3H3,(H2,21,24)(H,22,27).
What are the key properties of N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide?
N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide is sourced from PubChem (CID 143855615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).