N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide

C25H25N7O2S — CID 162668446

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3s2)cn1
InChIInChI=1S/C25H25N7O2S/c1-25(2,3)20-11-21(31-34-20)30-22(33)9-15-5-7-17(8-6-15)29-23-18-10-19(16-12-28-32(4)13-16)35-24(18)27-14-26-23/h5-8,10-14H,9H2,1-4H3,(H,26,27,29)(H,30,31,33)
InChIKeyOALPHMPHFSEBGR-UHFFFAOYSA-N
MW487.59 g/mol
LogP5.30
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 162668446) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID162668446
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3s2)cn1
InChIInChI=1S/C25H25N7O2S/c1-25(2,3)20-11-21(31-34-20)30-22(33)9-15-5-7-17(8-6-15)29-23-18-10-19(16-12-28-32(4)13-16)35-24(18)27-14-26-23/h5-8,10-14H,9H2,1-4H3,(H,26,27,29)(H,30,31,33)
InChIKeyOALPHMPHFSEBGR-UHFFFAOYSA-N
XLogP5.30
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamide
CID 1173303
N-(5-Methyl-isoxazol-3-yl)-3-{3-[4-methyl-5-(4-pyrazol-1-yl-phenyl)-thiazol-2-yl]-ureido}-propionamide
CID 23642173
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23734246
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 162395125
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[(6-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 162644443
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]acetamide
CID 162675457
2-((1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7199971
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 162666294
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 162676465
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]acetamide
CID 164620686
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 164623103
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[5-[2-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
CID 71812236

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (CID 162668446) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is Cn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3s2)cn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is OALPHMPHFSEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-25(2,3)20-11-21(31-34-20)30-22(33)9-15-5-7-17(8-6-15)29-23-18-10-19(16-12-28-32(4)13-16)35-24(18)27-14-26-23/h5-8,10-14H,9H2,1-4H3,(H,26,27,29)(H,30,31,33).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 487.59 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 162668446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).