N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide

C22H22FN7O2 — CID 68642400

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C22H22FN7O2/c1-22(2,3)21(31)27-16-11-26-19(28-18(16)24)15-10-17(20-25-8-9-32-20)30(29-15)12-13-6-4-5-7-14(13)23/h4-11H,12H2,1-3H3,(H,27,31)(H2,24,26,28)
InChIKeyWZILYEITXGBIQW-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.75
Rot. Bonds5

About N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide (PubChem CID 68642400) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide
PubChem CID68642400
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C22H22FN7O2/c1-22(2,3)21(31)27-16-11-26-19(28-18(16)24)15-10-17(20-25-8-9-32-20)30(29-15)12-13-6-4-5-7-14(13)23/h4-11H,12H2,1-3H3,(H,27,31)(H2,24,26,28)
InChIKeyWZILYEITXGBIQW-UHFFFAOYSA-N
XLogP3.75
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-oxazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 10388612
4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10506159
N-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-acetamide
CID 44216145
2H-Imidazo[4,5-c]pyridin-2-one, 4-amino-1,3-dihydro-1-[(6-methyl-3-pyridinyl)methyl]-6-(2-oxazolyl)-
CID 49771648
2-((3-Fluoropyridin-2-yl)methyl)-8-(3-methylimi dazo[l,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine
CID 146490628
5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-l-isopropylpyrdin-2(1H)-one
CID 146490903
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 645008
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-fluoro-benzyl)-1H-pyrazol-4-yl]-amide
CID 654644
3-(2-Fluorobenzyl)-7-(2-oxazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 25188209
4-(1-methyl-4-(oxazol-2-yl)-1H-pyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
CID 54587542
2-[(2-Fluorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127045699

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide (CID 68642400) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide?
The InChIKey is WZILYEITXGBIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-22(2,3)21(31)27-16-11-26-19(28-18(16)24)15-10-17(20-25-8-9-32-20)30(29-15)12-13-6-4-5-7-14(13)23/h4-11H,12H2,1-3H3,(H,27,31)(H2,24,26,28).
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide has a molecular weight of 435.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 68642400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).