2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide

C23H27F2N7O2 — CID 162485577

IUPAC2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide
SMILESCC(C(=O)Nc1cc(C(C)(C)C(C)(F)F)on1)c1ccc(-c2nn(C(C)C)c(N)c2C#N)nc1
InChIInChI=1S/C23H27F2N7O2/c1-12(2)32-20(27)15(10-26)19(30-32)16-8-7-14(11-28-16)13(3)21(33)29-18-9-17(34-31-18)22(4,5)23(6,24)25/h7-9,11-13H,27H2,1-6H3,(H,29,31,33)
InChIKeyWCEVYHJRBXFDBD-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.64
Rot. Bonds7

About 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide

2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide (PubChem CID 162485577) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound Name2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide
PubChem CID162485577
Molecular FormulaC23H27F2N7O2
Molecular Weight471.51 g/mol
Exact Mass471.22
IUPAC Name2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide
SMILESCC(C(=O)Nc1cc(C(C)(C)C(C)(F)F)on1)c1ccc(-c2nn(C(C)C)c(N)c2C#N)nc1
InChIInChI=1S/C23H27F2N7O2/c1-12(2)32-20(27)15(10-26)19(30-32)16-8-7-14(11-28-16)13(3)21(33)29-18-9-17(34-31-18)22(4,5)23(6,24)25/h7-9,11-13H,27H2,1-6H3,(H,29,31,33)
InChIKeyWCEVYHJRBXFDBD-UHFFFAOYSA-N
XLogP4.64
TPSA135.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292128
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 163292153
5-amino-3-[3-methyl-4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292169
5-amino-3-[4-[1-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163624177
2-[5-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-2-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 166820677
5-amino-3-[5-[1-oxo-1-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyrrol-5-yl]amino]propan-2-yl]-2-pyridinyl]-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
CID 170152038
2-[4-[5-amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]phenyl]propanoic acid
CID 162485531
5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
CID 162485684
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[3-(4-fluoro-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-5-yl]acetamide
CID 163291900
5-amino-3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 90075770
lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate
CID 164765566
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2,3-difluorophenyl]-N-[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]acetamide
CID 167059281

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide?
The IUPAC name of 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide (CID 162485577) is 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide is CC(C(=O)Nc1cc(C(C)(C)C(C)(F)F)on1)c1ccc(-c2nn(C(C)C)c(N)c2C#N)nc1.
What is the InChIKey of 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide?
The InChIKey is WCEVYHJRBXFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-12(2)32-20(27)15(10-26)19(30-32)16-8-7-14(11-28-16)13(3)21(33)29-18-9-17(34-31-18)22(4,5)23(6,24)25/h7-9,11-13H,27H2,1-6H3,(H,29,31,33).
What are the key properties of 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide?
2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide has a molecular weight of 471.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 162485577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).