N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide

C20H26N6O2 — CID 95104498

IUPACN-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cnn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)c1C
InChIInChI=1S/C20H26N6O2/c1-7-12(2)23-17(27)15-11-22-26(13(15)3)16-9-8-14(10-21-16)18-24-19(25-28-18)20(4,5)6/h8-12H,7H2,1-6H3,(H,23,27)/t12-/m1/s1
InChIKeyZOINOAFBACTCLT-GFCCVEGCSA-N
MW382.47 g/mol
LogP3.45
Rot. Bonds5

About N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide

N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide (PubChem CID 95104498) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
PubChem CID95104498
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cnn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)c1C
InChIInChI=1S/C20H26N6O2/c1-7-12(2)23-17(27)15-11-22-26(13(15)3)16-9-8-14(10-21-16)18-24-19(25-28-18)20(4,5)6/h8-12H,7H2,1-6H3,(H,23,27)/t12-/m1/s1
InChIKeyZOINOAFBACTCLT-GFCCVEGCSA-N
XLogP3.45
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179232
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490113
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490120
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 95104472
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 53489754
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 56766811
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179048
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179105
N-[(4-chlorophenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179099
1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 53179060

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide (CID 95104498) is N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide is CC[C@@H](C)NC(=O)c1cnn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)c1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is ZOINOAFBACTCLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-7-12(2)23-17(27)15-11-22-26(13(15)3)16-9-8-14(10-21-16)18-24-19(25-28-18)20(4,5)6/h8-12H,7H2,1-6H3,(H,23,27)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide?
N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 95104498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).