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

C24H28FN7O2 — CID 129169609

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cnc(-c2cc(C3C=CON3C)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C24H28FN7O2/c1-24(2,3)23(33)30(4)20-13-27-22(28-21(20)26)17-12-19(18-10-11-34-31(18)5)32(29-17)14-15-8-6-7-9-16(15)25/h6-13,18H,14H2,1-5H3,(H2,26,27,28)
InChIKeyGZUPYFPGTVUKEI-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.55
Rot. Bonds5

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

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide (PubChem CID 129169609) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide
PubChem CID129169609
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cnc(-c2cc(C3C=CON3C)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C24H28FN7O2/c1-24(2,3)23(33)30(4)20-13-27-22(28-21(20)26)17-12-19(18-10-11-34-31(18)5)32(29-17)14-15-8-6-7-9-16(15)25/h6-13,18H,14H2,1-5H3,(H2,26,27,28)
InChIKeyGZUPYFPGTVUKEI-UHFFFAOYSA-N
XLogP3.55
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide
CID 126491297
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-methyl-2-phenoxypropanamide
CID 68642150
cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 144707681
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 68642360
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide
CID 71622426
[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-methylcarbamic acid;hydrochloride
CID 66682905
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]acetic acid
CID 90446123
diethyl 2-[5-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-methylpropanedioate
CID 90425434
3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
CID 118150757
[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-methylcarbamic acid;phosphoric acid
CID 66684187
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
CID 56597271
methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 66634902

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide (CID 129169609) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1cnc(-c2cc(C3C=CON3C)n(Cc3ccccc3F)n2)nc1N.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide?
The InChIKey is GZUPYFPGTVUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-24(2,3)23(33)30(4)20-13-27-22(28-21(20)26)17-12-19(18-10-11-34-31(18)5)32(29-17)14-15-8-6-7-9-16(15)25/h6-13,18H,14H2,1-5H3,(H2,26,27,28).
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide has a molecular weight of 465.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 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-(2-methyl-3H-1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 129169609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).