N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide

C23H24N6O3 — CID 53490146

IUPACN-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)C)no4)cn3)c2C)c1
InChIInChI=1S/C23H24N6O3/c1-14(2)21-27-23(32-28-21)17-8-9-20(24-12-17)29-15(3)19(13-26-29)22(30)25-11-16-6-5-7-18(10-16)31-4/h5-10,12-14H,11H2,1-4H3,(H,25,30)
InChIKeyRAPDVLBHLOISDX-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.69
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 53490146) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID53490146
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)C)no4)cn3)c2C)c1
InChIInChI=1S/C23H24N6O3/c1-14(2)21-27-23(32-28-21)17-8-9-20(24-12-17)29-15(3)19(13-26-29)22(30)25-11-16-6-5-7-18(10-16)31-4/h5-10,12-14H,11H2,1-4H3,(H,25,30)
InChIKeyRAPDVLBHLOISDX-UHFFFAOYSA-N
XLogP3.69
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490165
N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179095
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490113
N-benzyl-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53179198
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 53490139
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
N-[(4-chlorophenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179099
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179232
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179105
[(3S)-3-methylpiperidin-1-yl]-[5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 95104525
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 53490146) is N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide is COc1cccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)C)no4)cn3)c2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is RAPDVLBHLOISDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14(2)21-27-23(32-28-21)17-8-9-20(24-12-17)29-15(3)19(13-26-29)22(30)25-11-16-6-5-7-18(10-16)31-4/h5-10,12-14H,11H2,1-4H3,(H,25,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 53490146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).